SCHEMBL2830906

SCHEMBL2830906

NC(c1cccs1)C1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36
ALOX5 P09917 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ICMT O60725 1/20 0.33

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
SCHEMBL12261588 0.98 SLC6A3 (0.40) SLC6A3ALDH1A1HPGDRAB9ATSHR
Hydrochloric Acid SCHEMBL17818958 0.96 SLC6A3 (0.39) SLC6A3ALDH1A1HPGDRAB9ATSHR
SCHEMBL23695650 0.96 SLC6A3 (0.38) SLC6A3ALDH1A1HPGDRAB9ATSHR
SCHEMBL4916608 0.92 ALOX5 (0.36) SLC6A3RAB9ATSHRKMT2ANPC1
SCHEMBL23695497 0.92 ALOX5 (0.36) SLC6A3RAB9ATSHRKMT2ANPC1
SCHEMBL12261646 0.92 ALOX5 (0.36) SLC6A3RAB9ATSHRKMT2ANPC1
SCHEMBL6874522 0.77 MAPT (0.39) ALDH1A1HPGDRAB9ATSHRMEN1
SCHEMBL9791528 0.76 MAPT (0.44) ALDH1A1HPGDRAB9ATSHRMEN1
SCHEMBL11379881 0.76 MAPT (0.44) SLC6A3ALDH1A1HPGDRAB9ATSHR
SCHEMBL9555629 0.74 RAB9A (0.36) SLC6A3ALDH1A1HPGDRAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116940563-A CDK inhibitors and their use as pharmaceuticals 普莱鲁德疗法有限公司 2023-10-24 CN disclosed
US-20230135729-A1 COMPOUND WITH ANTI-SPORE ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF CHENGDU BIOBEL COMPANY LIMITED (CN) 2023-05-04 US disclosed
US-20230135729-A1 COMPOUND WITH ANTI-SPORE ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF CHENGDU BIOBEL COMPANY LIMITED (CN) 2023-05-04 US disclosed
WO-2021147123-A1 COMPOUND HAVING ANTISPORULANT ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF 成都贝诺科成生物科技有限公司 2021-07-29 WO disclosed
US-7776879-B2 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL, S.A. (ES) 2010-08-17 US disclosed
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-02-26 US disclosed
US-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME LABORATORIOS ALMIRALL S.A. 2009-01-01 US disclosed
US-7435742-B2 Quinuclidine derivatives and pharmaceutical compositions containing the same LABORATORIOS ALMIRALL S.A. (ES) 2008-10-14 US disclosed
US-20080021060-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL PRODESFARMA AG 2008-01-24 US disclosed
CN-100363363-C Quinuclidine derivatives and pharmaceutical compositions containing the same ALMIRALL PRODESFARMA SA (CH) 2008-01-23 CN disclosed
EP-1345937-B1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2005-09-28 EP disclosed
EP-1515968-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Almirall Prodesfarma AG (CH) 2005-03-23 EP disclosed
US-20040266816-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists ALMIRALL, S.A. (ES) 2004-12-30 US disclosed
US-20040242629-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists LABORATORIOS ALMIRALL S.A. (ES) 2004-12-02 US disclosed
WO-2004000840-A2 QUINUCLIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME ALMIRALL PRODESFARMA AG (CH) 2003-12-31 WO disclosed
EP-1345937-A1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2003-09-24 EP disclosed
WO-2002051841-A1 QUINUCLIDINE CARBAMATE DERIVATIVES AND THEIR USE AS M3 ANTAGONISTS ALMIRALL PRODESFARMA AG (CH) 2002-07-04 WO disclosed
EP-0010401-B1 NOVEL (1-SUBSTITUTED) CYCLOALKYLMETHYL-ISOTHIOCYANATES, A PROCESS FOR THEIR PREPARATION, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PESTICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1982-05-05 EP disclosed
US-4216217-A FUNGICIDES, INSECTICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-08-05 US disclosed
EP-0010401-A2 Novel (1-substituted) cycloalkylmethyl-isothiocyanates, a process for their preparation, compositions comprising them, and their use as pesticides JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-30 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 (6 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-20090005412-A1 NOVEL QUINUCLIDINE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 SLC6A3 1197/4885ALDH1A1 1723/4885HPGD 2312/4885
US-20080021060-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM2, CHRM1 SLC6A3 675/4885ALDH1A1 1193/4885HPGD 4155/4885
US-20040242629-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM2, CHRM1 SLC6A3 573/4885ALDH1A1 1591/4885HPGD 4085/4885
US-20040266816-A1 Quinuclidine carbamate derivatives and their use as M3 antagonists CHRM3, CHRM1, CHRM2 SLC6A3 622/4885ALDH1A1 1413/4885HPGD 4127/4885
US-20090054480-A1 NOVEL QUINUCLIDINE CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME CHRM3, CHRM2, CHRM1 SLC6A3 1327/4885ALDH1A1 2119/4885HPGD 2262/4885
US-20230135729-A1 COMPOUND WITH ANTI-SPORE ACTIVITY AND PHARMACEUTICAL COMPOSITION THEREOF CASP9, CLPP, CASP1 SLC6A3 3653/4885ALDH1A1 3037/4885HPGD 1505/4885

“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.