SCHEMBL6461776

SCHEMBL6461776

Cc1cccc(C(=O)N[C@H]2CC[C@@H](Nc3cc(C)c4ccccc4n3)CC2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 9/20 0.66
▸ ADRA2A P08913 8/20 0.66
▸ KDM4E B2RXH2 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ HRH1 P35367 1/20 0.55
▸ HTR2B P41595 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GRM5 P41594 1/20 0.49
▸ BTK Q06187 1/20 0.49

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
SCHEMBL6461781 1.00 MCHR1 (0.66) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6455751 0.99 MCHR1 (0.65) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6455762 0.99 MCHR1 (0.65) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
SCHEMBL6461964 0.91 KDM4E (0.58) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
SCHEMBL6461968 0.91 KDM4E (0.58) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
SCHEMBL6459395 0.90 SMN1; SMN2 (0.62) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
SCHEMBL6459407 0.90 SMN1; SMN2 (0.62) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
SCHEMBL6463784 0.90 SMYD3 (0.55) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
SCHEMBL6463778 0.90 SMYD3 (0.55) MCHR1ADRA2AKDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6457921 0.90 KDM4E (0.57) MCHR1ADRA2AKDM4ELMNASMN1; SMN2

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 6 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
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 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 117/4885KDM4E 1190/4885

“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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