SCHEMBL6002202

SCHEMBL6002202

CN1CCN(C2CCc3ccccc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.62
GPR84 Q9NQS5 1/20 0.53
SIGMAR1 Q99720 3/20 0.51
TAAR1 Q96RJ0 1/20 0.49
MAOB P27338 2/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48

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
SCHEMBL6001969 0.90 CHRNA7 (0.68) CHRNA7TAAR1MAOBOPRM1OPRD1
SCHEMBL6002219 0.88 CHRNA7 (0.66) CHRNA7TAAR1MAOBOPRM1OPRD1
SCHEMBL7678292 0.85 CHRNA7 (0.67) CHRNA7MAOBOPRM1OPRD1OPRK1
SCHEMBL7680070 0.85 CHRNA7 (0.67) CHRNA7MAOBOPRM1OPRD1OPRK1
SCHEMBL7680425 0.85 CHRNA7 (0.67) CHRNA7MAOBOPRM1OPRD1OPRK1
SCHEMBL5264779 0.85 CHRNA7 (0.77) CHRNA7GPR84TAAR1OPRM1OPRD1
SCHEMBL20256359 0.85 CHRNA7 (0.77) CHRNA7GPR84TAAR1OPRM1OPRD1
SCHEMBL21142551 0.84 CHRNA7 (0.74) CHRNA7GPR84SIGMAR1TAAR1OPRM1
SCHEMBL3402404 0.84 CHRNA7 (0.74) CHRNA7GPR84SIGMAR1TAAR1OPRM1
SCHEMBL12569104 0.83 CHRNA7 (0.58) CHRNA7SIGMAR1TAAR1OPRM1OPRK1

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-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS HELTON DAVID REED (US) 2015-02-19 US disclosed
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2011-07-14 US disclosed
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2009-10-22 US disclosed
US-20090156609-A1 TREATMENT OF POST-TRAUMATIC STRESS DISORDER WITH TETRAHYDROINDOLONE ARYLPIPERZAINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2009-06-18 US disclosed
US-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives BASF AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
EP-1603395-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-12-14 EP disclosed
WO-2004080170-A2 AMINO SUBSTITUTED BENZO(HETERO)CYCLIC DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 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 (5 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-20090156609-A1 TREATMENT OF POST-TRAUMATIC STRESS DISORDER WITH TETRAHYDROINDOLONE ARYLPIPERZAINE COMPOUNDS HTR5A, HTR2C, HTR3B CHRNA7 1715/4885GPR84 522/4885SIGMAR1 951/4885
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR CHRNA7 1073/4885GPR84 2153/4885SIGMAR1 3184/4885
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR CHRNA7 1073/4885GPR84 2153/4885SIGMAR1 3184/4885
US-20060166984-A1 Amino substituted benzo(hetero)cyclic derivatives CBR3, L3MBTL3, BRS3 CHRNA7 1146/4885GPR84 2720/4885SIGMAR1 1480/4885
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR CHRNA7 1073/4885GPR84 2153/4885SIGMAR1 3184/4885

“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.