SCHEMBL4799631

SCHEMBL4799631

Cc1cccc(Oc2ccc([NH])cc2Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 4/20 0.37
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GRM4 Q14833 1/20 0.34
MAP4K4 O95819 1/20 0.33
AR P10275 1/20 0.33
CCR1 P32246 1/20 0.32
CCR8 P51685 1/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BDKRB2 P30411 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL4795212 0.84 MAP4K4 (0.37) MAP4K4CCR1CCR8NPC1RAB9A
SCHEMBL4799459 0.82 LMNA (0.38) ARHPGDHTTALDH1A1GAA
SCHEMBL4799636 0.82 CYP3A4 (0.41) S1PR4CYP11B1CYP11B2GRM4MAP4K4
SCHEMBL4798364 0.81 HTT (0.34) S1PR4HPGDHTTALDH1A1GAA
SCHEMBL10547159 0.79 ALDH1A1 (0.50) MAP4K4CCR1CCR8HPGDHTT
SCHEMBL4797986 0.79 LMNA (0.36) S1PR4HPGDHTTALDH1A1NPC1
SCHEMBL875878 0.78 TTR (0.45) CYP11B1CYP11B2HPGDALDH1A1GAA
SCHEMBL4796069 0.78 ALOX5AP (0.37) S1PR4GRM4HPGDHTTALDH1A1
SCHEMBL4798024 0.77 HTT (0.39) S1PR4ARHPGDHTTALDH1A1
SCHEMBL4798748 0.76 OXTR (0.39) S1PR4GRM4HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332493-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth OSI PHARMACEUTICALS (US) 2008-02-19 US claimed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US claimed
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 US claimed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP claimed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 US claimed
US-7332493-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth OSI PHARMACEUTICALS (US) 2008-02-19 US disclosed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US disclosed
US-6890924-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC (US) 2005-05-10 US disclosed
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP disclosed
EP-1292591-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2003-03-19 EP disclosed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 US disclosed
WO-2001098277-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2001-12-27 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-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 S1PR4 404/4885CYP11B1 28/4885CYP11B2 51/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 S1PR4 532/4885CYP11B1 42/4885CYP11B2 85/4885

“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.