SCHEMBL4469191

SCHEMBL4469191

C1=CCN(C(c2ccccc2)c2ccccc2)C=C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CYP2D6 P10635 5/20 0.37
KMT2A Q03164 3/20 0.37
KCNH2 Q12809 3/20 0.37
OPRM1 P35372 3/20 0.37
MEN1 O00255 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD1 P21728 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37

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
Bromide SCHEMBL30297450 0.98 CRHBP (0.44) CRHBPCRHR2CYP2D6KMT2AKCNH2
SCHEMBL29958555 0.81 CRHBP (0.38) CRHBPCRHR2CYP2D6KCNH2ADRA2A
SCHEMBL28293855 0.78 SRC (0.45) CYP2D6KMT2AKCNH2MEN1HTR2A
SCHEMBL28307917 0.77 CYP17A1 (0.34) CRHBPCRHR2
SCHEMBL29029226 0.77 CYP17A1 (0.34) CRHBPCRHR2
SCHEMBL2712357 0.75 ADRA2C (0.42) CRHBPCRHR2CYP2D6KMT2AKCNH2
SCHEMBL15060168 0.73 GABBR2 (0.42) CRHBPCRHR2KMT2AMEN1KDM4E
SCHEMBL30776869 0.71 KMT2A (0.52) CRHBPCRHR2CYP2D6KMT2AOPRM1
SCHEMBL2266405 0.67 OPRM1 (0.54) CYP2D6KMT2AKCNH2OPRM1MEN1
SCHEMBL28865540 0.67 CYP19A1 (0.43) CYP2D6KMT2AKCNH2OPRM1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116987026-A Metal-free pyridine ortho-modification method 中国科学院兰州化学物理研究所 2023-11-03 CN claimed
CN-116987026-A Metal-free pyridine ortho-modification method 中国科学院兰州化学物理研究所 2023-11-03 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
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
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-20030119784-A1 Method for reducing chloride secretion by intestinal epithelial cells in situ: use of triaryl methane compounds NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-26 US disclosed
US-6495567-B1 REDUCING CHLORIDE SECRETION; PREVENTING DEHYDRATION, ACIDOSIS, DEATH AND IMPAIRED GROWTH BETH ISRAEL DEACONESS MEDICAL CENTER 2002-12-17 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
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 (3 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-20030119784-A1 Method for reducing chloride secretion by intestinal epithelial cells in situ: use of triaryl methane compounds SLC10A2, VIP, CLCN2 CRHBP 2449/4885CRHR2 1193/4885CYP2D6 1296/4885
US-20040127464-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO CRHBP 3520/4885CRHR2 3136/4885CYP2D6 2705/4885
US-20020119953-A1 Use of triaryl methane compounds for inhibiting unwanted cellular proliferation associated with inflammatory disease CCNO, HPGDS, TSPO CRHBP 3520/4885CRHR2 3136/4885CYP2D6 2705/4885

“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.