SCHEMBL255094

SCHEMBL255094

CN1CC[C@@H]2CCCC[C@@H]2C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
NCF1 P14598 1/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
SLC18A3 Q16572 2/20 0.35
HRH3 Q9Y5N1 5/20 0.35
SIGMAR1 Q99720 3/20 0.35
HSD11B1 P28845 1/20 0.35
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 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
SCHEMBL1776518 1.00 ALDH1A1 (0.42) ALDH1A1NCF1GNAI3GNAO1GNAI1
SCHEMBL14589323 1.00 ALDH1A1 (0.42) ALDH1A1NCF1GNAI3GNAO1GNAI1
SCHEMBL14640696 1.00 ALDH1A1 (0.42) ALDH1A1NCF1GNAI3GNAO1GNAI1
SCHEMBL443188 1.00 ALDH1A1 (0.42) ALDH1A1NCF1GNAI3GNAO1GNAI1
SCHEMBL12440194 1.00 ALDH1A1 (0.42) ALDH1A1NCF1GNAI3GNAO1GNAI1
SCHEMBL8324465 1.00 ALDH1A1 (0.42) ALDH1A1NCF1GNAI3GNAO1GNAI1
SCHEMBL254415 1.00 ALDH1A1 (0.42) ALDH1A1NCF1GNAI3GNAO1GNAI1
SCHEMBL13162976 0.97 ALDH1A1 (0.40) ALDH1A1NCF1GNAI3GNAO1GNAI1
SCHEMBL21238903 0.97 ALDH1A1 (0.40) ALDH1A1NCF1GNAI3GNAO1GNAI1
SCHEMBL22591830 0.97 ALDH1A1 (0.40) ALDH1A1NCF1GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3721943-A1 LIPIDS, LIPID COMPOSITIONS AND METHODS OF USING THEM Novartis AG (CH) 2020-10-14 EP disclosed
EP-2952503-B1 CARBOXYLIC ACID DERIVATIVES AS HIV REPLICATION INHIBITOR SHIONOGI & CO (JP) 2019-10-23 EP disclosed
EP-3542789-A2 LIPIDS SUITABLE FOR LIPOSOMAL DELIVERY OF PROTEIN-CODING RNA GlaxoSmithKline Biologicals SA (BE) 2019-09-25 EP disclosed
EP-2611420-B1 LIPIDS SUITABLE FOR LIPOSOMAL DELIVERY OF PROTEIN-CODING RNA GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2019-03-27 EP disclosed
WO-2018079855-A1 PHARMACEUTICAL COMPOSITION FOR INDUCING PROGRAMMED CELL DEATH IN CANCER CELLS 国立大学法人京都大学 2018-05-03 WO disclosed
EP-3305789-A1 NITROGEN-CONTAINING TRICYCLIC DERIVATIVE HAVING HIV REPLICATION INHIBITORY ACTIVITY Shionogi & Co., Ltd. (JP) 2018-04-11 EP disclosed
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20170107234-A1 TRICYCLIC HETEROCYCLE DERIVATIVES HAVING HIV REPLICATION INHIBITORY EFFECT SHIONOGI & CO., LTD. (JP) 2017-04-20 US disclosed
US-9301923-B2 Lipids, lipid compositions, and methods of using them NOVARTIS AG (CH) 2016-04-05 US disclosed
US-9301923-B2 Lipids, lipid compositions, and methods of using them NOVARTIS AG (CH) 2016-04-05 US disclosed
US-20110200582-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM NOVARTIS AG (CH) 2011-08-18 US disclosed
EP-2357173-A1 New alkyne compounds with MCH-antagonistic activity and medicaments containing them Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-08-17 EP disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP disclosed
US-7528140-B2 Substituted pyrrolo[3,2-d]pyrimidines as glycogen synthase kinase (GSK) inhibitors TEIJIN LIMITED (JP) 2009-05-05 US disclosed
US-7452911-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-11-18 US disclosed
US-7173033-B2 Nitrogen-containing heterocyclic compound ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173033-B2 Nitrogen-containing heterocyclic compound ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 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 (4 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-20110200582-A1 LIPIDS, LIPID COMPOSITIONS, AND METHODS OF USING THEM SGMS1, SGMS2, LIPC ALDH1A1 3626/4885NCF1 1139/4885GNAI3 1206/4885
US-20170107234-A1 TRICYCLIC HETEROCYCLE DERIVATIVES HAVING HIV REPLICATION INHIBITORY EFFECT NR4A1, NR4A3, NR0B1 ALDH1A1 2707/4885NCF1 271/4885GNAI3 2440/4885
US-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA ALDH1A1 1405/4885NCF1 2086/4885GNAI3 1012/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 ALDH1A1 1659/4885NCF1 2146/4885GNAI3 832/4885

“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.