SCHEMBL9929400

SCHEMBL9929400

CC1Cc2c(c3ccc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)cc3n2C)CN1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.65
ASAH1 Q13510 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
KCNH2 Q12809 1/20 0.36

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
SCHEMBL9929336 0.93 MCHR1 (0.65) MCHR1DRD2DRD4KCNH2
SCHEMBL9929141 0.92 MCHR1 (0.70) MCHR1KCNH2
SCHEMBL9963959 0.90 MCHR1 (0.60) MCHR1DRD2DRD4KCNH2
SCHEMBL1006845 0.84 MCHR1 (0.71) MCHR1
SCHEMBL9963931 0.83 MCHR1 (0.71) MCHR1KCNH2
Hydrochloric Acid SCHEMBL9929424 0.83 MCHR1 (0.70) MCHR1
SCHEMBL9963957 0.82 MCHR1 (0.65) MCHR1KCNH2
SCHEMBL12927576 0.81 MCHR1 (0.82) MCHR1
SCHEMBL12927863 0.79 MCHR1 (1.00) MCHR1
Hydrochloric Acid SCHEMBL1005194 0.78 MCHR1 (0.98) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697700-B2 Piperazinone-substituted tetrahydro-carboline MCH-1 antagonists, methods of making, and uses thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-04-15 US disclosed
US-20120157469-A1 PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-21 US 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-20120157469-A1 PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF MCHR1, MCHR2, MC1R MCHR1 1/4885ASAH1 2658/4885DRD2 165/4885

“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.