SCHEMBL8373114

SCHEMBL8373114

CCOc1nccc2occc12

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 14/20 0.52
▸ TRPA1 O75762 1/20 0.51
▸ HPGD P15428 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SSTR4 P31391 1/20 0.43
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ LRRK2 Q5S007 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
SCHEMBL1901526 0.81 TRPA1 (0.54) DRD1TRPA1HTR2AHTR2C
SCHEMBL7814847 0.76 TRPA1 (0.50) DRD1TRPA1SSTR4
SCHEMBL31091535 0.76 MAOB (0.50) DRD1TRPA1HPGD
SCHEMBL20171944 0.75 TRPA1 (0.49) DRD1TRPA1HPGDSMN1; SMN2
SCHEMBL8371407 0.73 HTR2C (0.42) DRD1TRPA1SSTR4HTR2AHTR2C
SCHEMBL21999457 0.71 DRD1 (0.58) DRD1TRPA1
SCHEMBL11628396 0.71 ADRB2 (0.48) SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL827370 0.70 KCNA3 (0.59) DRD1TRPA1HPGDHTR2AHTR2C
SCHEMBL3797772 0.70 BRD4 (0.46) TRPA1
SCHEMBL2757287 0.70 HTR2C (0.47) DRD1TRPA1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2804864-B1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2017-09-06 — — EP disclosed
EP-2804864-B1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2017-09-06 — — EP disclosed
US-9730929-B2 Substituted aminoimidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-15 — — US disclosed
US-9730929-B2 Substituted aminoimidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-15 — — US disclosed
US-9730929-B2 Substituted aminoimidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-15 — — US disclosed
US-9643974-B2 Amino-substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-05-09 — — US disclosed
US-9643974-B2 Amino-substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-05-09 — — US disclosed
US-9643974-B2 Amino-substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-05-09 — — US disclosed
EP-2714692-B1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2017-03-22 — — EP disclosed
US-20140364435-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-11 — — US disclosed
EP-2804864-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2014-11-26 — — EP disclosed
US-20140194430-A1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-10 — — US disclosed
US-20140194430-A1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-10 — — US disclosed
US-20140194430-A1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-10 — — US disclosed
WO-2013087581-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-06-20 — — WO disclosed
US-8343477-B2 Viricides; serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-01 — — US disclosed
WO-2012163942-A1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-12-06 — — WO disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 — — US disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 — — US 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 (5 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-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP DRD1 3272/4885TRPA1 4837/4885HPGD 3422/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ DRD1 428/4885TRPA1 3751/4885HPGD 3271/4885
US-20140364435-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES CCND2, CCND1, VEGFA DRD1 894/4885TRPA1 4706/4885HPGD 208/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP DRD1 3272/4885TRPA1 4837/4885HPGD 3422/4885
US-20140194430-A1 SUBSTITUTED AMINOIMIDAZOPYRIDAZINES CCND2, CCND1, VEGFA DRD1 1330/4885TRPA1 4570/4885HPGD 292/4885

“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.

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