SCHEMBL7369795

SCHEMBL7369795

Cc1cc(N)ccc1C(C)(C)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
PDE10A Q9Y233 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
CASP1 P29466 3/20 0.45
TSHR P16473 3/20 0.45
CYP3A4 P08684 3/20 0.40
MAPT P10636 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
THRB P10828 2/20 0.39
LMNA P02545 2/20 0.39
ALOX15 P16050 1/20 0.39
GAA P10253 2/20 0.36
NR4A1 P22736 1/20 0.36
PTK2B Q14289 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
PGR P06401 1/20 0.35

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
SCHEMBL14803471 0.82 ALDH1A1 (0.54) ALDH1A1PDE10AL3MBTL1CASP1TSHR
SCHEMBL3006494 0.82 ALDH1A1 (0.54) ALDH1A1PDE10AL3MBTL1CASP1TSHR
SCHEMBL25908466 0.78 ALDH1A1 (0.50) ALDH1A1PDE10AL3MBTL1CASP1TSHR
SCHEMBL7099525 0.78 SMN1; SMN2 (0.53) ALDH1A1PDE10AL3MBTL1CASP1TSHR
SCHEMBL12180439 0.77 TDP1 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9272585 0.77 ESR1 (0.41) ALDH1A1TSHRCYP3A4MEN1KMT2A
SCHEMBL18156891 0.77 KIF11 (0.44) ALDH1A1PDE10AL3MBTL1CASP1TSHR
SCHEMBL2991359 0.77 ALDH1A1 (0.48) ALDH1A1PDE10AL3MBTL1CASP1TSHR
SCHEMBL7953551 0.76 ALOX15 (0.45) ALDH1A1TSHRCYP3A4LMNAALOX15
SCHEMBL4472584 0.76 RAB9A (0.38) ALDH1A1MAPTMEN1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738600-B2 ROR gamma (RORγ) modulators LEAD PHARMA CEL MODELS IP B.V. (NL) 2017-08-22 US disclosed
US-20160304448-A1 ROR GAMMA (RORy) MODULATORS LEAD PHARMA CEL MODELS IP B.V. (NL) 2016-10-20 US disclosed
CN-100439366-C Pyrido[2,3-d]pyrimidine-2,4-diamines as PDE2 inhibitors PFIZER PROD INC (US) 2008-12-03 CN disclosed
CN-1894245-A Pyrido[2,3-d]pyrimidine-2,4-diamines as PDE2 inhibitors PFIZER PROD INC (US) 2007-01-10 CN disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 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 (1 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-20160304448-A1 ROR GAMMA (RORy) MODULATORS RORC, RORA, RORB ALDH1A1 1054/4885PDE10A 1137/4885L3MBTL1 350/4885

“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.