SCHEMBL6621098

SCHEMBL6621098

[CH2]N(Cc1ccccc1)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
ALDH1A1 P00352 2/20 0.50
AOC3 Q16853 1/20 0.46
MAPK1 P28482 1/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 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
SCHEMBL112375 0.79 TSHR (0.58) TSHRALDH1A1AOC3MAPK1CARM1
Hydrochloric Acid SCHEMBL31556140 0.77 TSHR (0.56) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL10660626 0.76 TSHR (0.54) TSHRALDH1A1AOC3MAPK1CARM1
SCHEMBL400749 0.76 TSHR (0.54) TSHRALDH1A1AOC3MAPK1CARM1
Hydrochloric Acid SCHEMBL7899272 0.74 TSHR (0.52) TSHRALDH1A1AOC3MAPK1CARM1
SCHEMBL294642 0.73 TSHR (0.64) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL9545622 0.73 TSHR (0.50) TSHRALDH1A1AOC3MAPK1CARM1
SCHEMBL5462064 0.72 TSHR (0.55) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL1776018 0.72 TSHR (0.55) TSHRALDH1A1AOC3CARM1PRMT6
SCHEMBL9853509 0.71 TSHR (0.50) TSHRALDH1A1AOC3MAPK1CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222187-B1 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMA (US) 2004-09-22 EP claimed
US-6770639-B2 CELL PROLIFERATIVE; AUTOIMMUNE DISEASES; ANTIALLERGENS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-03 US claimed
JP-2003527328-A 2003-09-16 JP claimed
US-6506769-B2 Pyridine -imidazole, -thiazole or -oxazole derivatives; treating autoimmune diseases, chronic inflammatory diseases, allergic diseases, transplant rejection and cancer BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-14 US claimed
EP-1222187-A2 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-07-17 EP claimed
US-20020016460-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-02-07 US claimed
WO-2001025238-A2 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-04-12 WO claimed
US-4617401-A ANTISPASMODIC AGENTS, VASODILATORS SUNTORY LTD. (JP) 1986-10-14 US claimed
EP-0039903-B1 8-SUBSTITUTED PYRROLIZIDINES AND QUATERNARY AMMONIUM SALTS THEREOF SUNTORY KABUSHIKI KAISHA (JP) 1986-04-09 EP claimed
EP-0039903-A2 8-Substituted pyrrolizidines and quaternary ammonium salts thereof SUNTORY KABUSHIKI KAISHA (JP) 1981-11-18 EP claimed
EP-1222187-B1 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMA (US) 2004-09-22 EP disclosed
US-6770639-B2 CELL PROLIFERATIVE; AUTOIMMUNE DISEASES; ANTIALLERGENS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-03 US disclosed
US-20030166929-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-09-04 US disclosed
US-6506769-B2 Pyridine -imidazole, -thiazole or -oxazole derivatives; treating autoimmune diseases, chronic inflammatory diseases, allergic diseases, transplant rejection and cancer BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-14 US disclosed
EP-1222187-A2 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-07-17 EP disclosed
US-20020016460-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-02-07 US disclosed
WO-2001025238-A2 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-04-12 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-20020016460-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases LTK, FRK, JAK1 TSHR 1362/4885ALDH1A1 1139/4885AOC3 1212/4885
US-20030166929-A1 Heterocyclic compounds useful as inhibitors of tyrosine kinases LTK, FRK, JAK1 TSHR 1362/4885ALDH1A1 1139/4885AOC3 1212/4885

“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.