SCHEMBL13624146

SCHEMBL13624146

CC(C)N(C)CC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.39
ALOX5 P09917 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
DAO P14920 1/20 0.35
CYP1A2 P05177 1/20 0.34
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
CTSK P43235 4/20 0.33
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSH P09668 1/20 0.32
SLC2A1 P11166 1/20 0.32

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
SCHEMBL25124418 0.98 ADRA1B (0.36) ADRA1BALOX5SIGMAR1DAOCYP1A2
SCHEMBL10093897 0.93 ALOX5 (0.35) ADRA1BALOX5SIGMAR1ADH1BADH1C
SCHEMBL21127225 0.87 ALOX5 (0.31) ALOX5
SCHEMBL12744944 0.87
SCHEMBL22215202 0.82 ADRA1B (0.37) ADRA1BALOX5SIGMAR1DAOCYP1A2
SCHEMBL13417323 0.82 ADRA1B (0.37) ADRA1BALOX5SIGMAR1DAOCYP1A2
SCHEMBL13452891 0.80 SHBG (0.37) ADRA1BALOX5SIGMAR1DAOCYP1A2
SCHEMBL13503175 0.80 SLC6A2 (0.32)
SCHEMBL14768449 0.79 OPRK1 (0.31)
SCHEMBL21126641 0.78 ALOX5 (0.39) ADRA1BALOX5SIGMAR1DAOCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230257365-A1 SMALL MOLECULE ANDROGEN RECEPTOR PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2023-08-17 US disclosed
US-20230257365-A1 SMALL MOLECULE ANDROGEN RECEPTOR PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2023-08-17 US disclosed
US-20230233690-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS UNIV MICHIGAN REGENTS (US) 2023-07-27 US disclosed
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-05-25 US disclosed
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-05-04 US disclosed
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-05-04 US disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 US disclosed
US-10577363-B2 Substituted piperidine compounds Epizyme, Inc. (US) 2020-03-03 US disclosed
US-20170362217-A1 Substituted Piperidine Compounds Epizyme, Inc. (US) 2017-12-21 US disclosed
US-20170362217-A1 Substituted Piperidine Compounds Epizyme, Inc. (US) 2017-12-21 US disclosed
US-9682991-B2 Tricyclic compounds for use as kinase inhibitors FUNDACIÓN CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS CARLOS III (ES) 2017-06-20 US disclosed
US-20160213676-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis XENTHERA, INC. 2016-07-28 US disclosed
US-8835411-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-16 US disclosed
US-20130065881-A1 Tricyclic Compounds for Use as Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (ES) 2013-03-14 US disclosed
US-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives Centro Nacional de Investigaceiones Oncologicas (CNIO) (ES) 2013-03-14 US disclosed
US-20120309698-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-06 US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 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 (12 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-10577363-B2 Substituted piperidine compounds SMYD3, SMYD2, SNRPD3 ADRA1B 2695/4885ALOX5 4372/4885SIGMAR1 157/4885
US-20120309698-A1 HIV Integrase Inhibitors DNTT, POLB, UNG ADRA1B 2332/4885ALOX5 3282/4885SIGMAR1 4204/4885
US-20170362217-A1 Substituted Piperidine Compounds SMYD3, SMYD2, SNRPD3 ADRA1B 2695/4885ALOX5 4372/4885SIGMAR1 157/4885
US-20130065881-A1 Tricyclic Compounds for Use as Kinase Inhibitors PIM1, PIM2, PIM3 ADRA1B 3062/4885ALOX5 4402/4885SIGMAR1 772/4885
US-20230257365-A1 SMALL MOLECULE ANDROGEN RECEPTOR PROTEIN DEGRADERS AR, SHBG, CYP19A1 ADRA1B 99/4885ALOX5 4010/4885SIGMAR1 1036/4885
US-20230133504-A1 METHOD OF TREATING GRAFT-VERSUS-HOST DISEASE HLA-DRB1, CD74, HLA-C ADRA1B 3325/4885ALOX5 257/4885SIGMAR1 3708/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 ADRA1B 4509/4885ALOX5 3976/4885SIGMAR1 3209/4885
US-20230233690-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS AR, SHBG, CYP19A1 ADRA1B 82/4885ALOX5 3468/4885SIGMAR1 1057/4885
US-20160213676-A1 Substituted 2,3-dihydro-1H-inden-1-one Retinoic acid-related orphan nuclear receptor Antagonists for Treating Multiple Sclerosis RORA, RORB, RORC ADRA1B 153/4885ALOX5 495/4885SIGMAR1 726/4885
US-20230159573-A1 SMALL MOLECULE STAT PROTEIN DEGRADERS STAT1, STAT3, STAT5A ADRA1B 1788/4885ALOX5 4835/4885SIGMAR1 676/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH ADRA1B 3435/4885ALOX5 655/4885SIGMAR1 4514/4885
US-20130065883-A1 Triazolo [4, 5- B] Pyridin Derivatives PIM1, PIM3, PIM2 ADRA1B 2217/4885ALOX5 3059/4885SIGMAR1 1579/4885

“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.