SCHEMBL4797941

SCHEMBL4797941

COc1cc([NH])ccc1Oc1cnc(C)cn1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
SLC6A3 Q01959 3/20 0.38
OXTR P30559 3/20 0.35
ACHE P22303 1/20 0.34
ALDH1A1 P00352 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PLAU P00749 1/20 0.33
BLM P54132 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
MDM2 Q00987 1/20 0.33
PDE10A Q9Y233 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33

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
SCHEMBL4800373 0.84 OXTR (0.36) SMN1; SMN2SLC6A2SLC6A4SLC6A3OXTR
SCHEMBL4798748 0.82 OXTR (0.39) SMN1; SMN2SLC6A2SLC6A4SLC6A3OXTR
SCHEMBL4797954 0.82 KDM4E (0.47) MAPTSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL4794799 0.79 ALDH1A1 (0.44) MAPTSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL4798133 0.79 MAPT (0.64) MAPTSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL4798247 0.79 TGFBR1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1MAPK1
SCHEMBL4798220 0.78 MAPT (0.40) MAPTSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL4800882 0.77 ALDH1A1 (0.39) MAPTSMN1; SMN2SLC6A2SLC6A4SLC6A3
SCHEMBL4799459 0.76 LMNA (0.38) MAPTSMN1; SMN2ACHEALDH1A1MEN1
SCHEMBL4799203 0.75 AR (0.38) MAPTSMN1; SMN2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 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
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 MAPT 4429/4885SMN1; SMN2 1107/4885SLC6A2 3473/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 MAPT 4353/4885SMN1; SMN2 915/4885SLC6A2 3336/4885

“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.