SCHEMBL4007913

SCHEMBL4007913

CCN(CC)CCn1ccc2cc(N)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.55
PRKCI P41743 2/20 0.51
HTR6 P50406 3/20 0.50
EGFR P00533 1/20 0.44
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
NTSR1 P30989 1/20 0.41
BRPF1 P55201 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
TNNI3 P19429 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT6 P42226 1/20 0.40
TNNT2 P45379 1/20 0.40
TNNC1 P63316 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30408910 1.00 SCN9A (0.55) SCN9APRKCIHTR6EGFRHTR2A
SCHEMBL4269260 0.87 HTR6 (0.46) SCN9APRKCIHTR6EGFRHTR2A
SCHEMBL30411128 0.84 HTR2C (0.61) PRKCIHTR6EGFRHTR2AHTR2C
SCHEMBL216229 0.84 HTR2C (0.61) PRKCIHTR6EGFRHTR2AHTR2C
SCHEMBL4277776 0.83 PRKCI (0.46) SCN9APRKCIHTR6EGFRHTR2A
SCHEMBL3650822 0.82 PRKCI (0.59) PRKCIHTR6EGFRHTR2AHTR2C
SCHEMBL3935119 0.82 SCN9A (0.55) SCN9AHTR6EGFRHTR2AHTR2C
SCHEMBL4413691 0.81 PRKCI (0.50) SCN9APRKCIHTR6EGFRHTR2A
SCHEMBL5089820 0.80 PRKCI (0.56) PRKCIEGFRHTR2AHTR2CNTSR1
SCHEMBL6928247 0.79 PRKCI (0.51) PRKCIEGFRHTR2AHTR2CPLG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116143773-B 2-amino-4-thiazolylpyrimidine compound and preparation method and application thereof 中国药科大学 2023-07-21 CN disclosed
CN-116143773-A 2-amino-4-thiazolylpyrimidine compound and preparation method and application thereof 中国药科大学 2023-05-23 CN disclosed
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE S.A (ES) 2012-05-24 US disclosed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-8076488-B2 Antiproliferative agents; angiogenesis inhibitors; anticancer agents BAYER HEALTHCARE LLC (US) 2011-12-13 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
EP-1660131-B1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY ESTEVE LABOR DR (ES) 2009-06-24 EP disclosed
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
EP-1648445-B1 INDOL-5-YL SULFONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE 5-HT-6 AS MODULATORS ESTEVE LABOR DR (ES) 2009-06-03 EP disclosed
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-03-15 US disclosed
US-20070032520-A1 Indol-5-yl sulfonamide derivatives, their preparation and their use 5-ht-6 as modulators LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-02-08 US disclosed
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-01-11 US disclosed
EP-1608639-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-12-28 EP disclosed
US-20050245500-A1 Beta-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US disclosed
EP-1558567-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders BAYER HEALTHCARE LLC 2005-02-17 US disclosed
WO-2004078748-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 WO disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 US disclosed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050038031-A1 Novel bicyclic urea derivatives useful in the treatment of cancer and other disorders CCNC, UACA, SLC14A1 SCN9A 4727/4885PRKCI 1227/4885HTR6 4146/4885
US-20070059364-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity HTR6, NPY5R, NPY2R SCN9A 2151/4885PRKCI 4408/4885HTR6 1/4885
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R SCN9A 4641/4885PRKCI 2584/4885HTR6 292/4885
US-20050245500-A1 Beta-ketoamide compounds with MCH antagonistic activity MCHR2, MCHR1, NPY1R SCN9A 2593/4885PRKCI 406/4885HTR6 801/4885
US-20120128768-A1 ACTIVE SUBSTANCE COMBINATION COMPRISING A COMPOUND WITH NPY RECEPTOR AFFINITY AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, NPY5R, NPY2R SCN9A 2151/4885PRKCI 4408/4885HTR6 1/4885
US-20070009597-A1 Active substance combination comprising a compound with npy receptor affinity and a compound with 5-ht6 receptor affinity NPY5R, HTR6, NPY2R SCN9A 2631/4885PRKCI 4217/4885HTR6 2/4885
US-20070032520-A1 Indol-5-yl sulfonamide derivatives, their preparation and their use 5-ht-6 as modulators HTR6, HTR5A, TPH1 SCN9A 577/4885PRKCI 4638/4885HTR6 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.