SCHEMBL881106

SCHEMBL881106

CC(C)C1CNc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
EPHX2 P34913 1/20 0.42
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRCP P42785 1/20 0.36
IDH1 O75874 2/20 0.34
PRNP P04156 1/20 0.33
PPARG P37231 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
HTR5A P47898 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
SCHEMBL29332740 1.00 MTNR1A (0.44) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL12610368 1.00 MTNR1A (0.44) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8569787 0.83 EPHX2 (0.42) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8569796 0.83 EPHX2 (0.42) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL8562992 0.81 EPHX2 (0.43) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL16823636 0.80 MTNR1A (0.48) MTNR1AMTNR1BEPHX2GAAMAPT
SCHEMBL12128969 0.77 CHRNB2 (0.33)
SCHEMBL27010622 0.77 ROCK2 (0.34) MTNR1AMTNR1BIDH1
SCHEMBL10199369 0.76 CHRNB2 (0.41) MAPTHSD17B10
SCHEMBL30298338 0.75 IDO1 (0.41) PRCP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024130674-A1 METHOD FOR PREPARING AMPHIPHILIC POLYMER 深圳华大生命科学研究院 2024-06-27 WO disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
WO-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
WO-2022081925-A1 TRICYCLIC LIGANDS FOR DEGRADATION OF IKZF2 OR IKZF4 C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
WO-2017133521-A1 FXR RECEPTOR AGONIST 山东轩竹医药科技有限公司 2017-08-10 WO disclosed
US-9560848-B2 Method and compositions for biofouling deterrence CLEMSON UNIVERSITY (US) 2017-02-07 US disclosed
US-9433626-B2 Pyrido[4,3-B]indole and pyrido[3,4-B]indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-9434747-B2 Methods of treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2016-09-06 US disclosed
US-20160030446-A1 PYRIDO [4,3-B]INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2016-02-04 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
EP-2433496-A1 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification Burnham Institute for Medical Research (US) 2012-03-28 EP disclosed
US-8119693-B2 Tissue non-specific alkaline phosphatase inhibitors and uses thereof for treating vascular calcification SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2012-02-21 US disclosed
US-20110123477-A1 METHOD AND COMPOSITIONS FOR BIOFOULING DETERRENCE NAVY, SECRETARY OF THE UNITED STATES OF AMERICA 2011-05-26 US disclosed
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-18 US disclosed
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 US disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 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 (8 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-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI MTNR1A 3091/4885MTNR1B 3129/4885EPHX2 1812/4885
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF ALPI, SI, FABP2 MTNR1A 1702/4885MTNR1B 2000/4885EPHX2 1892/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI MTNR1A 3091/4885MTNR1B 3129/4885EPHX2 1812/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 MTNR1A 2382/4885MTNR1B 3006/4885EPHX2 2867/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 MTNR1A 4534/4885MTNR1B 4412/4885EPHX2 3264/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 MTNR1A 1869/4885MTNR1B 1441/4885EPHX2 1660/4885
US-20160030446-A1 PYRIDO [4,3-B]INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C MTNR1A 194/4885MTNR1B 72/4885EPHX2 1391/4885
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS CTSA, SOST, CTSB MTNR1A 747/4885MTNR1B 647/4885EPHX2 4231/4885

“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.