SCHEMBL1664353

SCHEMBL1664353

CC(C)CNc1cc[c]cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.36
IDO1 P14902 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
IDH1 O75874 1/20 0.34
AR P10275 2/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MAPT P10636 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
KDM6B O15054 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL146034 0.83 IDO1 (0.45) ESR1IDO1CA12CA1CA2
SCHEMBL15455399 0.78 ALDH1A1 (0.31) MAPTSMN1; SMN2
SCHEMBL4717807 0.78 ADRA2A (0.39) MAPTSMN1; SMN2
SCHEMBL27407906 0.78 TP53 (0.36) CA12CA1CA2CA9
SCHEMBL2449384 0.78 TSHR (0.31) CA12CA1CA2CA9
SCHEMBL11238728 0.77 MAPT (0.36) MAPTSMN1; SMN2
SCHEMBL4147798 0.77 MAPT (0.37) MAPTSMN1; SMN2
SCHEMBL182877 0.76 MAPT (0.52) ESR1IDO1MAPTSMN1; SMN2ACP1
SCHEMBL1664892 0.75 IDO1 (0.35) ESR1IDO1IDH1ARMAPT
SCHEMBL25095026 0.74 TSHR (0.40) ESR1IDO1CA12CA1CA2

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 100 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US claimed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP claimed
EP-1781617-A4 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA NV (BE) 2009-06-24 EP claimed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO claimed
CN-101023062-A Production of alpha, beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA NV (BE) 2007-08-22 CN claimed
EP-1781617-A2 ALPHA, BETA-UNSATURATED ESTERS AND ACIDS BY STEREOSELECTIVE DEHYDRATION JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP claimed
CN-1845901-A CCK-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2006-10-11 CN claimed
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed
EP-1641762-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-05 EP claimed
JP-2006501194-A 2006-01-12 JP claimed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 US claimed
CN-1678587-A CCK-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2005-10-05 CN claimed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP claimed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 US claimed
WO-2005005393-A2 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-20 WO claimed
US-20040067983-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-08 US claimed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO claimed
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP claimed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US claimed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R ESR1 850/4885IDO1 1051/4885CA12 4319/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR ESR1 428/4885IDO1 2014/4885CA12 2452/4885
US-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 ESR1 1949/4885IDO1 4594/4885CA12 3978/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 ESR1 207/4885IDO1 2979/4885CA12 2875/4885

“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.