SCHEMBL3277971

SCHEMBL3277971

CN1CCN(c2cccc3c2C=Nc2cc(Cl)ccc2N3)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.56
CHRM1 P11229 6/20 0.56
DRD4 P21917 5/20 0.56
DRD3 P35462 4/20 0.56
DRD1 P21728 4/20 0.56
HRH4 Q9H3N8 3/20 0.56
CHRM3 P20309 3/20 0.56
POLB P06746 2/20 0.56
CYP1A2 P05177 2/20 0.56
CHRM2 P08172 2/20 0.56
CHRM4 P08173 2/20 0.56
CYP3A4 P08684 2/20 0.56
CHRM5 P08912 2/20 0.56
CYP2D6 P10635 2/20 0.56
KCNH2 Q12809 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
MEN1 O00255 1/20 0.56
CACNA1F O60840 1/20 0.56
HTR3B O95264 1/20 0.56
ABCB11 O95342 1/20 0.56

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
SCHEMBL30416496 1.00 DRD2 (0.56) DRD2CHRM1DRD4DRD3DRD1
Hydrochloric Acid SCHEMBL5445211 0.99 DRD2 (0.55) DRD2CHRM1DRD4DRD3DRD1
SCHEMBL4202572 0.87 CYP1A2 (0.55) DRD2CHRM1DRD4DRD3DRD1
SCHEMBL3688075 0.85 DRD2 (0.51) DRD2CHRM1DRD4DRD3DRD1
SCHEMBL23234145 0.83 DRD2 (0.41) DRD2CHRM1DRD4DRD3DRD1
SCHEMBL5936584 0.83 CYP1A2 (0.51) DRD2CHRM1DRD4DRD3DRD1
SCHEMBL4447696 0.81 CHRM1 (0.52) DRD2CHRM1DRD4DRD3DRD1
SCHEMBL11535134 0.79 DRD2 (0.50) DRD2CHRM1DRD4DRD3DRD1
SCHEMBL3858770 0.79 CHRM1 (0.47) DRD2CHRM1DRD4DRD3DRD1
SCHEMBL5936592 0.78 CYP1A2 (0.46) DRD2CHRM1DRD3DRD1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006081327-A2 SMALL MOLECULES THAT REDUCE FUNGAL GROWTH UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2006-08-03 WO claimed
US-7700587-B2 Haloperidol analogs FLORIDA A&M UNIVERSITY (US) 2010-04-20 US disclosed
US-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DARPHARMA, INC. 2010-02-18 US disclosed
EP-1685115-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Warner-Lambert Company LLC (US) 2006-08-02 EP disclosed
US-20060052363-A1 which are incapable of metabolizing to BCPP+ like species, and have affinity for D2 receptor subtype and functions as dopamine receptor antagonist NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-03-09 US disclosed
US-20060039866-A1 Method for treating sleep-related breathing disorders CYPRESS BIOSCIENCE, INC. 2006-02-23 US disclosed
US-20050192273-A1 Therapy for psychoses combining an atypical antipsychotic and an mglu2/3 receptor agonist JOHNSON BRYAN G (US) 2005-09-01 US disclosed
WO-2005042501-A1 NOVEL NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-05-12 WO disclosed
WO-2005013961-A1 COMBINATION THERAPY FOR TREATMENT OF COGNITIVE DISORDERS OR PSYCHOSES ELI LILLY AND COMPANY (US) 2005-02-17 WO disclosed
EP-1492595-A1 THERAPY FOR PSYCHOSES COMBINING AN ATYPICAL ANTIPSYCHOTIC AND AN MGLU2/3 RECEPTOR AGONIST ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
US-20040162355-A1 Methods of treating and preventing cerebral function disorders using sibutramine metabolites SEPRACOR INC. 2004-08-19 US disclosed
WO-2003084610-A1 THERAPY FOR PSYCHOSES COMBINING AN ATYPICAL ANTIPSYCHOTIC AND AN MGLU2/3 RECEPTOR AGONIST ELI LILLY AND COMPANY (US) 2003-10-16 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 (4 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-20100041690-A1 Co-Administration of Dopamine-Receptor Binding Compounds DRD2, DRD1, DRD3 DRD2 1/4885CHRM1 131/4885DRD4 4/4885
US-20040162355-A1 Methods of treating and preventing cerebral function disorders using sibutramine metabolites OPRL1, OPRM1, OPRK1 DRD2 35/4885CHRM1 159/4885DRD4 174/4885
US-20060052363-A1 which are incapable of metabolizing to BCPP+ like species, and have affinity for D2 receptor subtype and functions as dopamine receptor antagonist DBH, TACR1, PRLHR DRD2 7/4885CHRM1 109/4885DRD4 89/4885
US-20060039866-A1 Method for treating sleep-related breathing disorders DAZAP1, ZMYND8, CHAT DRD2 461/4885CHRM1 374/4885DRD4 1367/4885

“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.