SCHEMBL2036346

SCHEMBL2036346

c1ccc2[nH]c(C3CCCC[N]3)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
SSTR3 P32745 1/20 0.36
CA2 P00918 1/20 0.36
SYK P43405 1/20 0.35
LRRK2 Q5S007 1/20 0.35
FAAH O00519 1/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC6A4 P31645 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HRH3 Q9Y5N1 2/20 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
SCHEMBL4172788 0.95 AOC3 (0.38) AOC3ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL5667289 0.77 AOC3 (0.36) AOC3ALDH1A1SLC6A3SLC6A4NPC1
SCHEMBL3640169 0.76 AOC3 (0.44) AOC3ALDH1A1FAAHNPC1RAB9A
SCHEMBL10441226 0.75 AOC3 (0.42) AOC3ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL6155692 0.74 HRH4 (0.42) HRH3
SCHEMBL5584506 0.72 AOC3 (0.40) AOC3ALDH1A1SLC6A3SLC6A4NPC1
SCHEMBL73543 0.72 AOC3 (0.47) AOC3ALDH1A1CA2SLC6A3SLC6A4
SCHEMBL5598283 0.72 BCHE (0.43) ALDH1A1NPC1RAB9A
SCHEMBL5382942 0.70 METTL3 (0.43) AOC3CYP2C9CYP2C19
SCHEMBL5109119 0.68 KDM4E (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160050895-A1 TRANSGENIC NON-HUMAN ORGANISMS WITH NON-FUNCTIONAL TSPO GENES THE UNIVERSITY OF SYDNEY (AU) 2016-02-25 US disclosed
CN-102770425-A Indolyl-piperidinylbenzylamines as beta-tryptase inhibitors SANOFI SA 2012-11-07 CN disclosed
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
EP-2516419-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-10-31 EP disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
US-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2012-09-27 US disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
WO-2011079102-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS SANOFI (FR) 2011-06-30 WO disclosed
US-7189741-B2 Indolylpiperidine derivatives as antihistaminic and antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2007-03-13 US disclosed
EP-1330453-B1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA SA (ES) 2006-03-29 EP disclosed
US-20040116471-A1 Indolylpiperidine derivatives as antihistaminic aand antiallergic agents ALMIRALL PRODESFARMA S.A. (ES) 2004-06-17 US disclosed
EP-1330453-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2003-07-30 EP disclosed
WO-2002036589-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2002-05-10 WO disclosed
US-20010053783-A1 Central nervous system disorders FAIRHURST JOHN (GB) 2001-12-20 US disclosed
EP-0854146-B1 Substituted 4-(6-fluoro-[1H]-indol-3-yl)-1,2,3,6-tetrahydropyridine for the treatment of CNS-disorders LILLY CO ELI (GB) 2000-03-15 EP disclosed
WO-1998031686-A1 SUBSTITUTED 4-(6-FLUORO-(1H)-INDOL-3-YL)-1,2,3,6-TETRAHYDROPYRIDINE FOR THE TREATMENT OF CNS-DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1998-07-23 WO disclosed
EP-0854146-A1 Substituted 4-(6-fluoro-[1H]-indol-3-yl)-1,2,3,6-tetrahydropyridine for the treatment of CNS-disorders ELI LILLY AND COMPANY LIMITED (GB) 1998-07-22 EP disclosed
US-3980658-A SEDATIVES, TRANQUILIZERS BOEHRINGER INGELHEIM GMBH (DT) 1976-09-14 US disclosed
US-3980658-A SEDATIVES, TRANQUILIZERS BOEHRINGER INGELHEIM GMBH (DT) 1976-09-14 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-20120245161-A1 INDOLYL-PIPERIDINYL BENZYLAMINES AS BETA-TRYPTASE INHIBITORS TPSAB1, TPSB2, TPSD1 AOC3 932/4885ALDH1A1 752/4885CYP3A4 939/4885
US-20010053783-A1 Central nervous system disorders CNR1, PMP22, CNR2 AOC3 934/4885ALDH1A1 491/4885CYP3A4 372/4885

“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.