SCHEMBL615004

SCHEMBL615004

COc1cccc(OC)c1C1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.66
HTR1A P08908 8/20 0.53
SLC6A2 P23975 8/20 0.53
SLC6A4 P31645 8/20 0.53
SLC6A3 Q01959 8/20 0.53
ABCB1 P08183 1/20 0.51
JUND P17535 1/20 0.47
FOSB P53539 1/20 0.47
GNAI3 P08754 1/20 0.44
SLC18A3 Q16572 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL5020016 0.88 HTR1A (0.70) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4888805 0.87 HTR1A (0.68) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL9870482 0.86 ABCB1 (0.64) HTR2CHTR1AABCB1
SCHEMBL19072578 0.80 ABCB1 (0.68) HTR2CABCB1
SCHEMBL330081 0.79 HTR2C (1.00) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL29891667 0.79 HTR2C (1.00) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL5585144 0.79 HTR2C (0.51) HTR2CHTR1ASLC6A2SLC6A4JUND
SCHEMBL5584542 0.79 HTR2C (0.73) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL25044018 0.79 HTR1A (0.58) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL6795747 0.79 HTR2C (0.54) HTR2CHTR1ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA (FR) 2012-02-16 US disclosed
CN-102295636-A Indol-3-y-carbonyl-piperidin and piperazin-derivatives 2011-12-28 CN disclosed
US-8076360-B2 e.g. {5-Chloro-2-[4-(2-oxo-2,3-dihydro-benzooxazol-7-yl)-piperidine-1-carbonyl]-1H-indol-7-yl}-acetonitrile; vasopressin receptors antagonist; antidepressant, anxiolytic; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMAN-LA ROCHE INC. (US) 2011-12-13 US disclosed
EP-2392571-A2 Indol-3-yl-carbonyl-piperidin and piperazin derivatives F. Hoffmann-La Roche AG (CH) 2011-12-07 EP disclosed
EP-2102186-B1 INDOLES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
US-8026259-B2 e.g. {5-Chloro-2-[4-(2-oxo-2,3-dihydro-benzooxazol-7-yl)-piperidine-1-carbonyl]-1H-indol-7-yl}-acetonitrile; vasopressin receptors antagonist; antidepressant, anxiolytic agent; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, obsessive compulsive disorder HOFFMANN-LA ROCHE INC. (US) 2011-09-27 US disclosed
US-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES BISSANTZ CATERINA 2010-09-02 US disclosed
US-7781436-B2 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
CN-101547914-A Indoles compound HOFFMANN LA ROCHE (CH) 2009-09-30 CN disclosed
EP-2102186-A1 INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2009-09-23 EP disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US disclosed
EP-1188747-B1 PHENOXYPROPYLAMINE COMPOUNDS MITSUBISHI PHARMA CORP (JP) 2005-09-07 EP disclosed
US-20040138227-A1 Phenoxypropylamine compounds NISHIYAMA AKIRA 2004-07-15 US disclosed
US-6720320-B2 ANTISEROTONINE AGENTS MITSUBISHI PHARMA CORPORATION (JP) 2004-04-13 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP disclosed
CN-1316994-A Piperidine derivatives HOFFMANN LA ROCHE (CH) 2001-10-10 CN disclosed
EP-1109786-A1 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-06-27 EP disclosed
WO-2000014067-A1 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-03-16 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 (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-20100222357-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR HTR2C 30/4885HTR1A 16/4885SLC6A2 2254/4885
US-20040138227-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR2C 9/4885HTR1A 1/4885SLC6A2 21/4885
US-20120040990-A1 INDOL-3-Y-CARBONYL-PIPERIDIN AND PIPERAZIN-DERIVATIVES AVPR1A, AVPR2, OXTR HTR2C 30/4885HTR1A 16/4885SLC6A2 2254/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR HTR2C 30/4885HTR1A 16/4885SLC6A2 2254/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A HTR2C 9/4885HTR1A 1/4885SLC6A2 21/4885

“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.