SCHEMBL3869434

SCHEMBL3869434

c1cnc2c(c1)C1NCCC1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA2 Q15822 1/20 0.43
CYP19A1 P11511 2/20 0.38
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
HTR1A P08908 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.35
TBXAS1 P24557 1/20 0.35

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
SCHEMBL11072585 1.00 PRCP (0.43) PRCPCHRNB2CHRNA4CHRNB4CHRNA2
SCHEMBL31569538 0.89 PRCP (0.47) PRCPCHRNB2CHRNA4CHRNB4CHRNA2
SCHEMBL3133189 0.85 PRCP (0.37) PRCPCHRNB2CHRNA4CHRNB4CHRNA2
SCHEMBL3139980 0.85 PRCP (0.37) PRCPCHRNB2CHRNA4CHRNB4CHRNA2
Hydrochloric Acid SCHEMBL52335 0.84 PRCP (0.36) PRCPCHRNB2CHRNA4CHRNB4CHRNA2
SCHEMBL10152945 0.75 HTR1A (0.42) CYP19A1HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL4173013 0.74 CHRNB2 (0.43) PRCPCHRNB2CHRNA4CHRNB4CHRNA2
SCHEMBL19292069 0.73 CYP19A1 (0.37) CHRNB2CHRNA4CYP19A1DRD2DRD1
SCHEMBL1724425 0.73 PRCP (0.70) PRCPCHRNB2CHRNA4CHRNB4CHRNA2
SCHEMBL18634635 0.70 CYP19A1 (0.37) CYP19A1DRD2TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086063-A1 VACCINES FOR PREVENTION AND TREATMENT OF ADDICTION CORNELL UNIVERSITY (US) 2011-04-14 US disclosed
US-20110086063-A1 VACCINES FOR PREVENTION AND TREATMENT OF ADDICTION CORNELL UNIVERSITY (US) 2011-04-14 US disclosed
WO-2009149252-A1 VACCINES FOR PREVENTION AND TREATMENT OF ADDICTION CORNELL UNIVERSITY (US) 2009-12-10 WO disclosed
US-7592454-B2 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20050239768-A1 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY 2005-10-27 US disclosed
US-5250537-A Treating psychoses SCIOS NOVA INC. (US) 1993-10-05 US disclosed
US-4870180-A 1,2-dihydro-4-methyl-1-oxo-5H-pyrido(4,3-b)indoles and the process for their synthesis SANOFI AND CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1989-09-26 US disclosed
US-4698444-A 1,1-bis(p-fluorophenyl)urea PFIZER INC. (US) 1987-10-06 US disclosed
US-4568748-A 2-Carbobenzoxy-8-fluoro-5-(p-fluorophenyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole PFIZER INC. (US) 1986-02-04 US disclosed
US-4477669-A Processes and intermediates useful in the preparation of flutroline PFIZER INC. (US) 1984-10-16 US disclosed
EP-0082658-A2 Processes and intermediates useful in the preparation of flutroline PFIZER INC. (US) 1983-06-29 EP disclosed
US-4352807-A Hexahydro-trans-pyridoindole neuroleptic agents PFIZER INC. (US) 1982-10-05 US disclosed
US-4267331-A REDUCTIVE ALKYLATION OF A 5-PHENYL-2,3,4,4A,5,9B-HEXAHYDRO-1H-PYRIDO/4,3-B/INDOLE WITH A REDUCING AGENT AND A 2-HYDROXY-5- OR 6-PHENYLFURAN OR -PYRAN PFIZER INC. (US) 1981-05-12 US disclosed
US-4252811-A Hexahydro-trans-pyridoindole neuroleptic agents PFIZER INC. (US) 1981-02-24 US disclosed
US-4252812-A TRANQUILIZERS PFIZER INC. (US) 1981-02-24 US disclosed
US-4224329-A TRANQUILIZERS PFIZER INC. (US) 1980-09-23 US disclosed
US-4091102-A Anti-depressant trans-hexahydropyrido[3,4-b]indoles ENDO LABORATORIES, INC. (US) 1978-05-23 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 (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-20110086063-A1 VACCINES FOR PREVENTION AND TREATMENT OF ADDICTION SLC6A3, CCR5, OPRK1 PRCP 2332/4885CHRNB2 93/4885CHRNA4 23/4885
US-20050239768-A1 Substituted hexahydro-pyridoindole derivatives as serotonin receptor agonists and antagonists HTR1A, HTR7, HTR1D PRCP 2859/4885CHRNB2 228/4885CHRNA4 139/4885

“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.