SCHEMBL5051431

SCHEMBL5051431

CC(=O)NC1CCCc2cnccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ TSHR P16473 1/20 0.53
▸ CYP11B1 P15538 6/20 0.47
▸ CYP11B2 P19099 6/20 0.47
▸ POLB P06746 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ TAS1R3 Q7RTX0 3/20 0.44
▸ TAS1R1 Q7RTX1 3/20 0.44
▸ TAS1R2 Q8TE23 3/20 0.44
▸ RECQL P46063 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44

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
SCHEMBL5051427 1.00 ALDH1A1 (0.53) ALDH1A1TSHRCYP11B1CYP11B2POLB
SCHEMBL17748985 0.80 CHRNB2 (0.46) ALDH1A1TSHRPOLBKMT2AMEN1
SCHEMBL607818 0.79 HTT (0.68) ALDH1A1KMT2AMEN1HTTTAS1R3
SCHEMBL8340594 0.79 HTT (0.68) ALDH1A1KMT2AMEN1HTTTAS1R3
SCHEMBL6445345 0.79 HTT (0.68) ALDH1A1KMT2AMEN1HTTTAS1R3
SCHEMBL31301105 0.79 HTT (0.68) ALDH1A1KMT2AMEN1HTTTAS1R3
SCHEMBL21757628 0.77 ALDH1A1 (0.43) ALDH1A1TSHRPOLBKMT2AMEN1
SCHEMBL14197875 0.77 CHRNB2 (0.43) ALDH1A1TSHRPOLBKMT2AMEN1
SCHEMBL10357271 0.75 CA12 (0.54) ALDH1A1HTTTAS1R3TAS1R1TAS1R2
SCHEMBL6421679 0.75 CHRM4 (0.42) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC. (CA) 2007-03-15 — — US claimed
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2005-04-14 — — US claimed
US-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED CORPORATION (CA) 2003-06-19 — — US claimed
CN-101353324-A Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2009-01-28 — — CN disclosed
US-7452994-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2008-11-18 — — US disclosed
US-7452994-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2008-11-18 — — US disclosed
US-7452994-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2008-11-18 — — US disclosed
CN-100412062-C Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2008-08-20 — — CN disclosed
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC. (CA) 2007-03-15 — — US disclosed
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC. (CA) 2007-03-15 — — US disclosed
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC. (CA) 2007-03-15 — — US disclosed
CN-1272322-C Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2006-08-30 — — CN disclosed
CN-1817864-A Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2006-08-16 — — CN disclosed
CN-1608052-A Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2005-04-20 — — CN disclosed
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2005-04-14 — — US disclosed
EP-1487795-A4 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC (CA) 2005-02-09 — — EP disclosed
EP-1487795-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2004-12-22 — — EP disclosed
US-6825351-B2 SELECTIVE HYDROGENATION OF AMINO-SUBSTITUTED FUSED BICYCLIC AROMATIC RING SYSTEM, PREPARATION OF RACEMIC AMINO SUBSTITUTED FUSED BICYCLIC RING SYSTEM VIA NITROSATION, ENZYMATIC RESOLUTION OF RACEMIC MIXTURE TO PRODUCE (R)- AND (S)-FORMS ANORMED, INC. (CA) 2004-11-30 — — US disclosed
US-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED CORPORATION (CA) 2003-06-19 — — US disclosed
WO-2003022785-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2003-03-20 — — 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 (3 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-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 ALDH1A1 528/4885TSHR 2634/4885CYP11B1 92/4885
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 ALDH1A1 528/4885TSHR 2634/4885CYP11B1 92/4885
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 ALDH1A1 528/4885TSHR 2634/4885CYP11B1 92/4885

“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.

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