SCHEMBL4470158

SCHEMBL4470158

N#CC(c1ccccc1)(c1ccccc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
MEN1 O00255 2/20 0.40
CHRM3 P20309 8/20 0.40
CHRM2 P08172 7/20 0.40
CHRM1 P11229 7/20 0.40
CHRM4 P08173 5/20 0.40
CHRM5 P08912 5/20 0.40
CYP2D6 P10635 4/20 0.40
KCNH2 Q12809 3/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
HRH1 P35367 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL13785560 0.98 KEAP1 (0.46) KEAP1NFE2L2MEN1CHRM3CHRM2
SCHEMBL10360052 0.83 MEN1 (0.50) KEAP1NFE2L2MEN1CHRM3CHRM2
SCHEMBL10360054 0.82 MEN1 (0.38) KEAP1NFE2L2MEN1CHRM3CHRM2
SCHEMBL11223246 0.82 SLC18A3 (0.41) KEAP1NFE2L2MEN1CHRM3CHRM2
SCHEMBL4180834 0.81 HRH1 (0.56) MEN1CHRM3CHRM2CHRM1CYP2D6
SCHEMBL8206233 0.81 KEAP1 (0.40) KEAP1NFE2L2MEN1CHRM3CHRM2
SCHEMBL8424963 0.80 DRD2 (0.40) KEAP1NFE2L2MEN1CYP2D6KCNH2
SCHEMBL8424962 0.80 DRD2 (0.40) KEAP1NFE2L2MEN1CYP2D6KCNH2
Hydrochloric Acid SCHEMBL10360496 0.79 DRD2 (0.39) KEAP1NFE2L2MEN1CHRM3CHRM2
SCHEMBL8207050 0.79 KEAP1 (0.37) KEAP1NFE2L2MEN1CHRM3CHRM2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113336752-B Preparation method of secondary amine and tertiary amine derivative containing imidazole [1,2-a ] pyridine 广东药科大学 2022-10-04 CN disclosed
CN-113336752-A Preparation method of secondary amine and tertiary amine derivative containing imidazo [1,2-a ] pyridine 广东药科大学 2021-09-03 CN disclosed
US-7531573-B2 potent, selective and safe inhibitors of the Ca2+-activated potassium channel CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-05-12 US disclosed
US-7531573-B2 potent, selective and safe inhibitors of the Ca2+-activated potassium channel CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-05-12 US disclosed
US-7531573-B2 potent, selective and safe inhibitors of the Ca2+-activated potassium channel CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-05-12 US disclosed
EP-0918514-B9 TRIARYL METHANE COMPOUNDS FOR THE TREATMENT OF CANCER, ACTINIC KERATOSIS AND KAPOSI'S SARCOMA HARVARD COLLEGE (US) 2006-07-05 EP disclosed
CN-1249018-C Triaryl methane compounds for sickle cell disease HARVARD COLLEGE (US) 2006-04-05 CN disclosed
EP-0918514-B1 TRIARYL METHANE COMPOUNDS FOR THE TREATMENT OF CANCER, ACTINIC KERATOSIS AND KAPOSI'S SARCOMA HARVARD COLLEGE (US) 2005-12-28 EP disclosed
US-20040127464-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease BRUGNARA CARLO (US) 2004-07-01 US disclosed
US-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease BRUGNARA CARLO (US) 2002-08-29 US disclosed
US-6331564-B1 TREATING DIARRHEA CAUSED BY INFLAMMATORY BOWEL DISEASE, AUTOIMMUNE DISEASES SUCH AS LUPUS, GLOMERULONEPHRITIS ION PHARMACEUTICALS, INC. 2001-12-18 US disclosed
EP-0918514-A4 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE HARVARD COLLEGE (US) 2001-05-09 EP disclosed
CN-1251037-A Triarylmethane compounds for sickle cell disease HARVARD COLLEGE (US) 2000-04-19 CN disclosed
US-6028103-A Triaryl methane compounds and analogues thereof useful for the treatment or prevention of sickle cell disease or diseases characterized by abnormal cell proliferation CHILDREN'S MEDICAL CENTER CORPORATION (US) 2000-02-22 US disclosed
EP-0918514-A1 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-06-02 EP disclosed
WO-1997034589-A1 TRIARYL METHANE COMPOUNDS FOR SICKLE CELL DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1997-09-25 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 (2 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-20040127464-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO KEAP1 1546/4885NFE2L2 920/4885MEN1 3062/4885
US-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO KEAP1 1546/4885NFE2L2 920/4885MEN1 3062/4885

“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.