SCHEMBL4797649

SCHEMBL4797649

Cc1nnccc1Oc1ccc([NH])cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
AR P10275 1/20 0.33
TTR P02766 3/20 0.33
LMNA P02545 2/20 0.33
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.33
HSPA5 P11021 1/20 0.33
HPGD P15428 1/20 0.33
CBR1 P16152 1/20 0.33
TBXA2R P21731 1/20 0.33
AGTR1 P30556 1/20 0.33
GRM2 Q14416 2/20 0.31
SCN9A Q15858 1/20 0.31

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
SCHEMBL4797294 0.84 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL4796214 0.82 ACHE (0.34) SLC6A2SLC6A4SLC6A3ARTTR
SCHEMBL4797653 0.82 CYP3A4 (0.41) SLC6A2SLC6A4SLC6A3PTGS1PTGS2
SCHEMBL4797448 0.79 GRM2 (0.42) SLC6A2SLC6A4PTGS1PTGS2AR
SCHEMBL4800458 0.75 LMNA (0.38) SLC6A2SLC6A4SLC6A3PTGS1PTGS2
SCHEMBL4796111 0.74 CCR2 (0.36) SLC6A2SLC6A4SLC6A3TTRLMNA
SCHEMBL4800351 0.72 MPO (0.36) SLC6A2SLC6A4SLC6A3TTRLMNA
SCHEMBL4795738 0.72 MPO (0.31) PTGS1PTGS2S1PR4
SCHEMBL4797960 0.72 PTGS1 (0.38) SLC6A2SLC6A4SLC6A3PTGS1PTGS2
SCHEMBL4798024 0.71 HTT (0.39) ARLMNAMAPTHPGDALDH1A1

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
EP-1292591-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Inc. (US) 2003-03-19 EP claimed
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 US claimed
WO-2001098277-A2 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2001-12-27 WO 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
US-20020169165-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER PRODUCTS INC. 2002-11-14 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 (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 SLC6A2 3473/4885SLC6A4 3266/4885SLC6A3 3153/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 SLC6A2 3336/4885SLC6A4 3412/4885SLC6A3 3221/4885

“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.