SCHEMBL9929613

SCHEMBL9929613

Cn1c2c(c3ccc(N4CCN(CCc5ccccc5)CC4=O)cc31)CCN(C(=O)O)C2

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.64
CYP3A4 P08684 1/20 0.45
ASAH1 Q13510 1/20 0.42

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
SCHEMBL9929409 0.93 MCHR1 (0.64) MCHR1CYP3A4
SCHEMBL9963940 0.89 MCHR1 (0.58) MCHR1CYP3A4ASAH1
SCHEMBL9963936 0.89 MCHR1 (0.74) MCHR1CYP3A4ASAH1
SCHEMBL9929236 0.88 MCHR1 (0.68) MCHR1CYP3A4
Hydrochloric Acid SCHEMBL9929339 0.88 MCHR1 (0.73) MCHR1CYP3A4ASAH1
SCHEMBL991791 0.87 MCHR1 (0.82) MCHR1
SCHEMBL9929888 0.87 MCHR1 (0.63) MCHR1CYP3A4
SCHEMBL9963939 0.86 MCHR1 (0.73) MCHR1
SCHEMBL9929427 0.85 MCHR1 (0.77) MCHR1
SCHEMBL9963944 0.84 MCHR1 (0.62) MCHR1CYP3A4

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 3 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
WO-2012088038-A2 PIPERAZINONE-SUBSTITUTED TETRAHYDRO-CARBOLINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USES THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2012-06-28 WO 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 1/4885CYP3A4 925/4885ASAH1 2658/4885

“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.