SCHEMBL3671645

SCHEMBL3671645

C1=C2CCCCCN2CCN1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2C P28335 2/20 0.35
HTR2B P41595 1/20 0.35
HRH1 P35367 1/20 0.33
CASP1 P29466 1/20 0.32
CASP4 P49662 1/20 0.32
CASP5 P51878 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
INMT O95050 1/20 0.32
HRH4 Q9H3N8 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
SCHEMBL3584221 0.91
SCHEMBL17080990 0.78
SCHEMBL24911819 0.72 ALDH1A1 (0.34) USP2HTR2CALDH1A1MAPTHRH4
SCHEMBL22530438 0.70 HTR2C (0.36) HTR2CHTR2BALDH1A1
SCHEMBL10437043 0.68 SMN1; SMN2 (0.43) USP2SMN1; SMN2TDP1HTR2CHTR2B
SCHEMBL24710915 0.68 ALDH1A1 (0.36) ALDH1A1MAPT
SCHEMBL23486255 0.67 ALDH1A1 (0.35) USP2TDP1ALDH1A1MAPTINMT
SCHEMBL6699994 0.67 ALDH1A1 (0.35) USP2TDP1ALDH1A1MAPTINMT
SCHEMBL23661069 0.67 ALDH1A1 (0.35) USP2TDP1ALDH1A1MAPTINMT
SCHEMBL8420655 0.67 ALDH1A1 (0.35) USP2TDP1ALDH1A1MAPTINMT

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310825-B1 TWO-PART POLYURETHANE ADHESIVES MADE USING ISOCYANATE-TERMINATED QUASI-PREPOLYMERS BASED ON POLY (BUTYLENE OXIDE) DDP SPECIALTY ELECTRONIC MATERIALS US LLC (US) 2022-06-22 EP disclosed
US-10428251-B2 Two-part polyurethane adhesives made using isocyanate-terminated quasi-prepolymers based on poly(butylene oxide) DOW GLOBAL TECHNOLOGIES LLC (US) 2019-10-01 US disclosed
US-20180155590-A1 TWO-PART POLYURETHANE ADHESIVES MADE USING ISOCYANATE-TERMINATED QUASI-PREPOLYMERS BASED ON POLY(BUTYLENE OXIDE) DOW GLOBAL TECHNOLOGIES LLC (US) 2018-06-07 US disclosed
EP-3310825-A1 TWO-PART POLYURETHANE ADHESIVES MADE USING ISOCYANATE-TERMINATED QUASI-PREPOLYMERS BASED ON POLY (BUTYLENE OXIDE) Dow Global Technologies LLC (US) 2018-04-25 EP disclosed
WO-2016204978-A1 TWO-PART POLYURETHANE ADHESIVES MADE USING ISOCYANATE-TERMINATED QUASI-PREPOLYMERS BASED ON POLY (BUTYLENE OXIDE) DOW GLOBAL TECHNOLOGIES LLC (US) 2016-12-22 WO disclosed
EP-1738737-B1 Dimensionally stable articles from cured condensation-crosslinked dental material KETTENBACH GMBH & CO KG (DE) 2012-05-16 EP disclosed
US-7790781-B2 Condensation-crosslinkable dental material hardening to dimensionally stable casts KETTENBACH GMBH & CO. KG (DE) 2010-09-07 US disclosed
US-7514201-B2 Positive photosensitive composition FUJIFILM CORPORATION (JP) 2009-04-07 US disclosed
US-20070141513-A1 Positive photosensitive composition FUJI PHOTO FILM CO., LTD. 2007-06-21 US disclosed
US-20070004821-A1 Condensation-crosslinked dental material hardening to dimensionally stable casts KETTENBACH GMBH & CO. KG 2007-01-04 US disclosed
EP-1738737-A1 Dimensionally stable articles from cured condensation-crosslinked dental material Kettenbach GmbH & CO. KG (DE) 2007-01-03 EP disclosed
EP-1474411-A2 IMPROVED PROCESS FOR THE PRODUCTION OF DIHYDROPYRIDINES Abbott Laboratories (US) 2004-11-10 EP disclosed
WO-2003068765-A2 IMPROVED PROCESS FOR THE PRODUCTION OF DIHYDROPYRIDINES ABBOTT LABORATORIES (US) 2003-08-21 WO disclosed
US-20030153773-A1 Process for the production of dihydropyridines ABBOTT LABORATORIES 2003-08-14 US disclosed
US-6316652-B1 MITOPLATIN METAL COMPLEXES THAT ARE CISPLATIN DERIVATIVES; ANTITUMOR, ANTICARCINOGENIC, ANTIDIABETIC AND ANTIARTHRITIC AGENTS STELIOU, KOSTA 2001-11-13 US disclosed
EP-0831918-A2 DRUG MITOCHONDRIAL TARGETING AGENTS TRUSTEES OF BOSTON UNIVERSITY (US) 1998-04-01 EP disclosed
WO-1996039193-A2 DRUG MITOCHONDRIAL TARGETING AGENTS TRUSTEES OF BOSTON UNIVERSITY (US) 1996-12-12 WO disclosed
EP-0624591-A1 Organosilicon compounds with cage structure Wacker-Chemie GmbH (DE) 1994-11-17 EP disclosed
US-4391626-A PLANT SAFENING AGENTS FOR USE WITH THIOLCARBAMATES AND ACETANILIDES BAYER AKTIENGESELLSCHAFT (DE) 1983-07-05 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 (2 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-20030153773-A1 Process for the production of dihydropyridines QDPR, DHPS, FDPS USP2 3542/4885SMN1; SMN2 4329/4885TDP1 2474/4885
US-20070004821-A1 Condensation-crosslinked dental material hardening to dimensionally stable casts SMCHD1, SMC1A, SMC2 USP2 2860/4885SMN1; SMN2 2843/4885TDP1 3432/4885

“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.