SCHEMBL6161969

SCHEMBL6161969

c1ccc2c(c1)CCc1ccccc1C2N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.58
DRD1 P21728 3/20 0.51
DRD2 P14416 2/20 0.51
DRD5 P21918 1/20 0.51
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL8239748 0.89 TAAR1 (0.50) TAAR1DRD1DRD2DRD5FNTA
Water SCHEMBL10416041 0.84 FNTA (0.54) TAAR1DRD1DRD2DRD5FNTA
SCHEMBL2946237 0.82 DRD1 (0.65) TAAR1DRD1DRD2DRD5ADRA1D
SCHEMBL10414481 0.81 ADRA2A (0.43) TAAR1FNTAFNTB
SCHEMBL18634398 0.81 CHRNA7 (0.53) DRD1DRD2DRD5OPRM1OPRD1
SCHEMBL1798685 0.81 CYP1A2 (0.53) TAAR1
SCHEMBL9184067 0.80 TAAR1 (0.43) TAAR1DRD1DRD2DRD5FNTA
SCHEMBL29332470 0.80 TAAR1 (0.50) TAAR1DRD1DRD2DRD5FNTA
SCHEMBL13503895 0.79 PRCP (0.54) DRD1DRD2DRD5
Hydrochloric Acid SCHEMBL6167962 0.79 CYP1A2 (0.52) TAAR1

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214570-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-09-04 US disclosed
US-20080214570-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-09-04 US disclosed
WO-2007018460-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
EP-1060163-B1 NEW PIPERAZINYL-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES KLINGE CO CHEM PHARM FAB (DE) 2005-10-12 EP disclosed
US-6903118-B1 Piperazinyl-substituted pyridylalkane, alkene and alkine carboxamides KLINGE PHARMA GMBH (DE) 2005-06-07 US disclosed
US-20020151539-A1 Novel heterocyclic compounds JORGENSEN TINE KROGH (DK) 2002-10-17 US disclosed
US-6391890-B1 ANALGESICS, ANTIINFLAMMATORY AGENTS, NON-INSULIN DEPENDENT DIABETES NOVO NORDISK A/S (DK) 2002-05-21 US disclosed
US-6130217-A ANTITUMOR PFIZER INC (US) 2000-10-10 US disclosed
EP-0691962-B1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AG (DE) 2000-09-13 EP disclosed
US-6054458-A Heterocyclic compounds NOVONORDISKALS (DK) 2000-04-25 US disclosed
US-5405843-A Anticancer drug potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-04-11 US disclosed
EP-0363212-B1 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS (JP) 1995-01-04 EP disclosed
WO-1994022846-A1 COMPOUNDS ENHANCING ANTITUMOR ACTIVITY OF OTHER CYTOTOXIC AGENTS PFIZER INC. (US) 1994-10-13 WO disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed
EP-0575890-A1 Fumaric acid salts of quinoline derivatives to overcome MDR in cancer treatment MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-12-29 EP disclosed
US-5204348-A Quinoline derivatives MITSUI TOATSU CHEMICALS INC. (JP) 1993-04-20 US disclosed
EP-0535152-A1 BIS-BENZO OR BENZOPYRIDO CYCLO HEPTA PIPERIDENE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS AND COMPOSITIONS. SCHERING CORP (US) 1993-04-07 EP disclosed
US-5112817-A Anticancer Drug Potentiators MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1992-05-12 US disclosed
WO-1992000293-A1 BIS-BENZO OR BENZOPYRIDO CYCLO HEPTA PIPERIDENE, PIPERIDYLIDENE AND PIPERAZINE COMPOUNDS AND COMPOSITIONS SCHERING CORPORATION (US) 1992-01-09 WO disclosed
EP-0363212-A2 Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-04-11 EP 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-20080214570-A1 Therapeutic Agents NLN, BDNF, GAP43 TAAR1 792/4885DRD1 2673/4885DRD2 2108/4885
US-20020151539-A1 Novel heterocyclic compounds IAPP, GPR119, NPY1R TAAR1 1040/4885DRD1 1017/4885DRD2 1481/4885

“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.