SCHEMBL6325160

SCHEMBL6325160

[CH2]CC(c1ccccc1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.61
AOC3 Q16853 2/20 0.42
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
SLC6A3 Q01959 4/20 0.41
PKM P14618 2/20 0.40
HTR2A P28223 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA1A P35348 1/20 0.39
RGS12 O14924 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
ADRA2C P18825 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL28511682 0.86 TAAR1 (0.52) TAAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL3624306 0.84 TAAR1 (0.48) TAAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL28411588 0.80 TAAR1 (0.45) TAAR1AOC3CHRM2ADRA1AHSD17B10
SCHEMBL11478651 0.79 HKDC1 (0.55) TAAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL4820239 0.78 TAAR1 (0.41) TAAR1SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL598978 0.78 TAAR1 (0.64) TAAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL759880 0.76 TAAR1 (0.61) TAAR1SLC6A2SLC6A4SLC6A3PKM
SCHEMBL247628 0.76 TAAR1 (1.00) TAAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL9555066 0.76 TAAR1 (0.61) TAAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL3088974 0.76 TAAR1 (0.61) TAAR1AOC3SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050148634-A1 1-N-Aminobenzimidazole derivatives ZERIA PHARMACEUTICAL CO., LTD (JP) 2005-07-07 US disclosed
US-6906078-B2 Method of using (H+/K+) ATPase inhibitors as antiviral agents PHARMACIA CORPORATION (US) 2005-06-14 US disclosed
US-6838465-B2 N-acyltetrahydroisoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-04 US disclosed
US-20040044031-A1 N-acyltetrahydroisoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-03-04 US disclosed
EP-1288202-A1 N-ACYLTETRAHYDROISOQUINOLINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-03-05 EP disclosed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US disclosed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US disclosed
US-5686482-A DOPAMINE RECEPTOR ANTAGONIST YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-11 US disclosed
CN-1147248-A N- (3-pyrrolidinyl) benzamide derivatives YAMANOUCHI PHARMA CO LTD (JP) 1997-04-09 CN disclosed
EP-0757985-A1 N-(3-PYRROLIDINYL)BENZAMIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-02-12 EP disclosed
EP-0698010-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-28 EP disclosed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO disclosed
CN-1105354-A Novel alkamine derivative and slat of same YAMANOUCHI PHARMA CO LTD (JP) 1995-07-19 CN disclosed
US-5185347-A PIPERIDINE COMPOUNDS AND ANTIULCER COMPOSITION CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1993-02-09 US disclosed
EP-0457331-A1 Piperidine derivatives and antiulcer composition containing the same MEIJI SEIKA KAISHA LTD. (JP) 1991-11-21 EP disclosed
EP-0425134-A1 Condensed pyrrolo derivatives, process for their preparation and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 EP disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 CN disclosed
US-4772619-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1988-09-20 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 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 (3 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-20040044031-A1 N-acyltetrahydroisoquinoline derivatives HCRTR2, HCRTR1, OPRL1 TAAR1 52/4885AOC3 616/4885SLC6A2 814/4885
US-20050148634-A1 1-N-Aminobenzimidazole derivatives CYP1B1, CYP2E1, CYP1A1 TAAR1 2771/4885AOC3 364/4885SLC6A2 3041/4885
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 TAAR1 1705/4885AOC3 1014/4885SLC6A2 361/4885

“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.