SCHEMBL4504881

SCHEMBL4504881

COc1ccccc1C(=O)CCCCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.58
▸ DRD4 P21917 1/20 0.58
▸ SIGMAR1 Q99720 1/20 0.58
▸ POLB P06746 2/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ GAA P10253 1/20 0.56
▸ HTR7 P34969 2/20 0.55
▸ ABCB1 P08183 7/20 0.55
▸ MAPT P10636 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MAPK1 P28482 1/20 0.54

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
SCHEMBL10107605 0.84 ALDH1A1 (0.64) POLBKDM4EALDH1A1RAB9AGAA
SCHEMBL7383878 0.83 DRD4 (0.60) DRD2DRD4SIGMAR1ABCB1
SCHEMBL4491366 0.83 HTR7 (0.57) DRD2DRD4POLBALDH1A1HTR7
SCHEMBL4557706 0.80 CHRM1 (0.60) DRD2DRD4POLBKDM4EALDH1A1
SCHEMBL13089316 0.79 ALDH1A1 (0.66) DRD2ALDH1A1HTR7
SCHEMBL14577894 0.78 HTR7 (0.54) DRD2DRD4POLBKDM4EALDH1A1
SCHEMBL4496608 0.77 CHRM1 (0.69) DRD2DRD4SIGMAR1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL5358225 0.77 ALDH1A1 (0.56) DRD2DRD4POLBKDM4EALDH1A1
SCHEMBL27688476 0.76 HDAC8 (0.68) ALDH1A1
SCHEMBL5857750 0.76 CACNA1G (0.60) ALDH1A1HTR7MAPTTSHR

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 DRD2 470/4885DRD4 824/4885SIGMAR1 219/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 DRD2 470/4885DRD4 824/4885SIGMAR1 219/4885

“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.

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