Sugi Predict

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SCHEMBL6465595

SCHEMBL6465595

COc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3cc(N(C)C)c4ccccc4n3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 13/20 0.61
▸ ADRA2A P08913 11/20 0.61
▸ NPC1 O15118 1/20 0.50
▸ HTR1A P08908 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ NPY5R Q15761 1/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ KLK7 P49862 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48

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
SCHEMBL6465599 1.00 MCHR1 (0.61) MCHR1ADRA2ANPC1HTR1AADRA1A
SCHEMBL6877371 0.93 NPC1 (0.61) MCHR1ADRA2ANPC1HTR1AADRA1A
SCHEMBL6877366 0.93 NPC1 (0.61) MCHR1ADRA2ANPC1HTR1AADRA1A
SCHEMBL6467582 0.93 MCHR1 (0.70) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6467597 0.93 MCHR1 (0.70) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6457452 0.89 MCHR1 (0.55) MCHR1ADRA2ANPC1HTR1AADRA1A
SCHEMBL6457460 0.89 MCHR1 (0.55) MCHR1ADRA2ANPC1HTR1AADRA1A
SCHEMBL6879862 0.89 MCHR1 (0.57) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6879865 0.89 MCHR1 (0.57) MCHR1ADRA2AHTR1AADRA1AHRH1
SCHEMBL6459008 0.89 MCHR1 (0.48) MCHR1ADRA2ANPY5RMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 — — US claimed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 — — US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 — — WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP 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-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MCHR1 2/4885ADRA2A 117/4885NPC1 778/4885

“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.