SCHEMBL9929236

SCHEMBL9929236

Cn1c2c(c3ccc(N4CCN(CCc5ccccn5)CC4=O)cc31)CCN(C(=O)O)C2

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.68
CYP3A4 P08684 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
HRH1 P35367 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL9929572 0.94 MCHR1 (0.70) MCHR1HRH1HTR6
SCHEMBL1004752 0.91 MCHR1 (0.73) MCHR1
SCHEMBL9963947 0.89 MCHR1 (0.62) MCHR1CYP3A4
SCHEMBL9929613 0.88 MCHR1 (0.64) MCHR1CYP3A4
SCHEMBL9963932 0.87 MCHR1 (0.81) MCHR1HRH1HTR6
SCHEMBL12927880 0.86 MCHR1 (0.80) MCHR1HRH1HTR6
SCHEMBL9963951 0.84 MCHR1 (0.82) MCHR1CYP3A4
SCHEMBL9963953 0.83 MCHR1 (0.65) MCHR1HRH1HTR6
Hydrochloric Acid SCHEMBL9929858 0.83 MCHR1 (0.81) MCHR1CYP3A4
SCHEMBL9963948 0.82 MCHR1 (0.91) 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 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 925/4885PTPN2 2675/4885

“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.