SCHEMBL6808324

SCHEMBL6808324

CCc1cc(C[CH]C(=O)N2CCC(N)CC2)ccc1CC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.34
KDM1A O60341 6/20 0.33
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
GNRHR P30968 1/20 0.31
CACNA1B Q00975 2/20 0.31
SMYD3 Q9H7B4 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
MGLL Q99685 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL3285679 0.87 L3MBTL3 (0.39)
SCHEMBL3279001 0.85 PKM (0.33) GNRHR
SCHEMBL3277827 0.82 ALDH1A1 (0.35) ALDH1A1KMT2A
SCHEMBL3278800 0.82 CCR5 (0.34)
SCHEMBL3279067 0.81 L3MBTL3 (0.34) MCHR1ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL3278345 0.81 CYP2D6 (0.36) MCHR1ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL3282803 0.81 CYP2D6 (0.36) MCHR1ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL3284864 0.80
SCHEMBL3279563 0.78 ACACB (0.38) ALDH1A1KMT2A
SCHEMBL5250106 0.78 ACACB (0.38) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132716-A1 CGRP antagonists BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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-20040132716-A1 CGRP antagonists OPRL1, HTR1D, CALCA MCHR1 444/4885KDM1A 1159/4885GNAI3 897/4885

“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.