SCHEMBL3650358

SCHEMBL3650358

Cc1ccc(C(C)N)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 3/20 0.43
TRPA1 O75762 1/20 0.41
PTGS1 P23219 1/20 0.41
CACNA1C Q13936 1/20 0.41
PDE2A O00408 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 5/20 0.35
HPGD P15428 1/20 0.34
RECQL P46063 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 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
SCHEMBL13877347 1.00 ADRB2 (0.46) ADRB2ALDH1A1LMNATRPA1PTGS1
SCHEMBL13128971 1.00 ADRB2 (0.46) ADRB2ALDH1A1LMNATRPA1PTGS1
Hydrochloric Acid SCHEMBL4223637 0.98 ADRB2 (0.44) ADRB2ALDH1A1LMNATRPA1PTGS1
Hydrochloric Acid SCHEMBL7780522 0.98 ADRB2 (0.44) ADRB2ALDH1A1LMNATRPA1PTGS1
SCHEMBL754092 0.82 ALDH1A1 (0.46) ADRB2ALDH1A1LMNATRPA1PTGS1
SCHEMBL4604444 0.82 ALDH1A1 (0.46) ALDH1A1LMNATRPA1PTGS1CACNA1C
SCHEMBL24495400 0.81 LMNA (0.45) ADRB2ALDH1A1LMNATRPA1PTGS1
SCHEMBL16392261 0.81 ALDH1A1 (0.50) ADRB2ALDH1A1LMNATRPA1PTGS1
SCHEMBL4368719 0.81 ALDH1A1 (0.50) ADRB2ALDH1A1LMNATRPA1PTGS1
SCHEMBL21817350 0.79 ADRB2 (0.46) ADRB2LMNAPTGS1PDE2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661538-A Pyrazolo [3,4-d ] pyrimidine-4-ketone derivative and application thereof 中国科学院精密测量科学与技术创新研究院 2025-03-21 CN disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN disclosed
US-10799495-B2 Aaptamine alkaloid derivatives and synthesis method and application thereof RENJI HOSPITAL, SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2020-10-13 US disclosed
CN-108299430-B Benzodiazanaphthyridine alkaloid and synthesis method and application thereof 上海交通大学医学院附属仁济医院 2020-09-18 CN disclosed
US-20190350926-A1 AAPTAMINE ALKALOID DERIVATIVES AND SYNTHESIS METHOD AND APPLICATION THEREOF RENJI HOSPITAL, SHANGHAI JIAO TONG UNIVERSITY SCHOOL OF MEDICINE (CN) 2019-11-21 US disclosed
EP-2962687-B1 TAU AGGREGATION INHIBITOR THE DOSHISHA (JP) 2019-06-05 EP disclosed
US-9907799-B2 Tau aggregation inhibitor THE DOSHISHA (JP) 2018-03-06 US disclosed
US-20160355458-A1 INHIBITORS OF COGNITIVE DECLINE COGNITION THERAPEUTICS, INC. 2016-12-08 US disclosed
US-20160030437-A1 TAU AGGREGATION INHIBITOR NATIONAL CENTER FOR GERIATRICS AND GERONTOLOGY (JP) 2016-02-04 US disclosed
EP-2962687-A1 TAU AGGREGATION INHIBITOR The Doshisha (JP) 2016-01-06 EP disclosed
US-8084470-B2 Substituted nicotinamide compounds and uses thereof GRUENENTHAL GMBH (DE) 2011-12-27 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
EP-2188258-A1 SUBSTITUTED NICOTINAMIDE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICAL PRODUCTS Grünenthal GmbH (DE) 2010-05-26 EP disclosed
WO-2009036938-A1 SUBSTITUTED NICOTINAMIDE COMPOUNDS AND THE USE THEREOF IN PHARMACEUTICAL PRODUCTS Grünenthal GmbH (DE) 2009-03-26 WO disclosed
US-20090076086-A1 SUBSTITUTED NICOTINAMIDE COMPOUNDS AND USES THEREOF GRUENENTHAL GMBH (DE) 2009-03-19 US disclosed
CN-1626218-A Cactus skin-health cream WANG JINJIANG (CN) 2005-06-15 CN disclosed
EP-0191496-B1 TRIAZINE DERIVATIVES, A PROCESS FOR PREPARING THE DERIVATIVES, AND HERBICIDES CONTAINING THE DERIVATIVES AS THE EFFECTIVE COMPONENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-10-31 EP disclosed
US-4680054-A Triazine derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-07-14 US disclosed
EP-0191496-A2 Triazine Derivatives, a process for preparing the derivatives, and herbicides containing the derivatives as the effective component IDEMITSU KOSAN COMPANY LIMITED (JP) 1986-08-20 EP disclosed
US-4191765-A 1-Aryloxy-2-hydroxy-3-aminopropanes HOECHST AKTIENGESELLSCHAFT (DE) 1980-03-04 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 (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-20160030437-A1 TAU AGGREGATION INHIBITOR MAPT, PSEN2, PSEN1 ADRB2 825/4885ALDH1A1 4120/4885LMNA 1864/4885
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI ADRB2 4456/4885ALDH1A1 293/4885LMNA 546/4885
US-10799495-B2 Aaptamine alkaloid derivatives and synthesis method and application thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM1, ATL3 ADRB2 18/4885ALDH1A1 831/4885LMNA 1489/4885
US-20160355458-A1 INHIBITORS OF COGNITIVE DECLINE PSEN2, ACHE, MAPT ADRB2 508/4885ALDH1A1 3071/4885LMNA 3447/4885
US-20090076086-A1 SUBSTITUTED NICOTINAMIDE COMPOUNDS AND USES THEREOF NNT, NAMPT, NADK ADRB2 1205/4885ALDH1A1 281/4885LMNA 547/4885
US-20190350926-A1 AAPTAMINE ALKALOID DERIVATIVES AND SYNTHESIS METHOD AND APPLICATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CHRM1, ATL3 ADRB2 18/4885ALDH1A1 831/4885LMNA 1489/4885

“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.