SCHEMBL4500532

SCHEMBL4500532

CCCCN1CCN(CCCC#N)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.54
POLB P06746 2/20 0.50
DRD2 P14416 3/20 0.44
DRD3 P35462 3/20 0.44
GNAI3 P08754 2/20 0.44
GNAO1 P09471 2/20 0.44
GNAI1 P63096 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
SIGMAR1 Q99720 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL5672438 0.89
SCHEMBL10498707 0.89 ALDH1A1 (0.70) MAPTALDH1A1PKMTSHRPOLB
SCHEMBL148565 0.84 MAPT (0.59) MAPTALDH1A1PKMTSHRPOLB
SCHEMBL3657869 0.83 ALDH1A1 (0.44) MAPTALDH1A1PKMTSHRPOLB
SCHEMBL28024564 0.81
SCHEMBL2318272 0.81 GNAI3 (0.58) DRD2DRD3GNAI3GNAO1GNAI1
SCHEMBL1537447 0.81
SCHEMBL1043894 0.81 GNAI3 (0.58) DRD2DRD3GNAI3GNAO1GNAI1
SCHEMBL18538874 0.81 GNAI3 (0.58) DRD2DRD3GNAI3GNAO1GNAI1
SCHEMBL4500757 0.80 GNAO1 (0.49) MAPTALDH1A1PKMTSHRDRD2

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 8 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
CN-1303376-A Compound with activity on muscarinic receptors ACADIA PHARMACEUTICAL INC (US) 2001-07-11 CN 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 MAPT 2400/4885ALDH1A1 1920/4885PKM 1944/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 MAPT 2400/4885ALDH1A1 1920/4885PKM 1944/4885

“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.