SCHEMBL4510475

SCHEMBL4510475

Cc1ccccc1C(=O)CN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
KMT2A Q03164 3/20 0.59
MAPT P10636 2/20 0.59
POLB P06746 2/20 0.59
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP2C19 P33261 1/20 0.58
MEN1 O00255 2/20 0.53
SIGMAR1 Q99720 1/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.52

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
SCHEMBL4557706 0.83 CHRM1 (0.60) ALDH1A1KMT2APOLBTSHR
SCHEMBL10107605 0.82 ALDH1A1 (0.64) ALDH1A1KMT2AMAPTPOLBCYP3A4
SCHEMBL4491366 0.81 HTR7 (0.57) ALDH1A1POLBTSHR
SCHEMBL8341481 0.80 ALDH1A1 (1.00) ALDH1A1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL13161999 0.79 ALDH1A1 (0.60) ALDH1A1KMT2AMAPTPOLBMAPK1
Hydrochloric Acid SCHEMBL3840435 0.78 ALDH1A1 (0.97) ALDH1A1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL14997825 0.78 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTPOLBCYP3A4
SCHEMBL3158860 0.78 ALDH1A1 (0.68) ALDH1A1KMT2AMAPTCYP3A4CYP2D6
SCHEMBL2717435 0.77 ALDH1A1 (0.72) ALDH1A1KMT2AMAPTPOLBCYP3A4
SCHEMBL21044023 0.77 ALDH1A1 (0.72) ALDH1A1KMT2AMAPTPOLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485651-B2 Compounds with activity on muscarinic receptors ACADIA PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-20080108618-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS BRANN MARK 2008-05-08 US disclosed
US-20030144285-A1 Compounds with activity on muscarinic receptors BRANN MARK (US) 2003-07-31 US disclosed
US-6528529-B1 4-Methoxy-1-(4-(2-methylphenyl)-4-oxo-1-butyl)piperidine ACADIA PHARMACEUTICALS INC. 2003-03-04 US disclosed
WO-2001005763-A2 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS ACADIA PHARMACEUTICALS, INC. (US) 2001-01-25 WO disclosed
EP-1068185-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS Acadia Pharmaceuticals Inc. (US) 2001-01-17 EP disclosed
WO-1999050247-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS ACADIA PHARMACEUTICALS, INC. (US) 1999-10-07 WO 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 (2 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-20080108618-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS CHRM3, CHRM2, CHRM1 ALDH1A1 1920/4885KMT2A 2878/4885MAPT 2400/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 ALDH1A1 1920/4885KMT2A 2878/4885MAPT 2400/4885

“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.