SCHEMBL2526110

SCHEMBL2526110

CCC1CCCNC(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
OR51E2 Q9H255 1/20 0.38
FKBP5 Q13451 1/20 0.37
CRBN Q96SW2 1/20 0.37
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CTSD P07339 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CCR2 P41597 1/20 0.30

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
SCHEMBL5451213 0.88
SCHEMBL13575606 0.88
SCHEMBL2482364 0.85 CHRNA7 (0.38) HTTOR51E2FKBP5CRBNNOS3
SCHEMBL2482486 0.82 CYP1A2 (0.47) HTTOR51E2FKBP5CRBNNOS1
SCHEMBL9766490 0.79 CYP1A2 (0.49) HTTL3MBTL1ALDH1A1CCR2
SCHEMBL5014640 0.78 OR51E2 (0.37) OR51E2FKBP5CRBN
SCHEMBL6980000 0.76 OR51E2 (0.34) OR51E2FKBP5CRBNNOS3NOS1
SCHEMBL11260375 0.76 POLB (0.46) ALDH1A1MAPTSMN1; SMN2
SCHEMBL9779720 0.74 OR51E2 (0.46) HTTOR51E2FKBP5CRBNCTSD
SCHEMBL28731850 0.74 SIGMAR1 (0.40) OR51E2FKBP5CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017012963-A1 POLYMERIZABLE FATTY ACID-DERIVATIVE-MONOMERS WITH TERMINAL OLEFINIC DOUBLE BONDS, POLYMERS CONTAINING SAME MONOMERS, PRODUCTION AND USE THEREOF BASF SE (DE) 2017-01-26 WO claimed
US-20080182773-A1 Thickeners Based on Polymers Comprising Amine Groups BASF AKTIENGESELLSCHAFT (DE) 2008-07-31 US claimed
EP-1572772-B1 METHOD FOR PRODUCING POLYURETHANE PREPOLYMERS IN THE PRESENCE OF A CATALYST HENKEL KGAA (DE) 2006-09-06 EP claimed
US-20060004175-A1 Method for producing a polyurethane prepolymer HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-01-05 US claimed
EP-1572772-A1 METHOD FOR PRODUCING POLYURETHANE PREPOLYMERS IN THE PRESENCE OF A CATALYST Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-14 EP claimed
WO-2004055087-A1 METHOD FOR PRODUCING POLYURETHANE PREPOLYMERS IN THE PRESENCE OF A CATALYST HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-01 WO claimed
US-10314841-B2 Substituted pyrazoles as IRAK inhibitors MERCK PATENT GMBH (DE) 2019-06-11 US disclosed
EP-2170964-B1 HIGH-CATION COPOLYMERS BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2017-02-22 EP disclosed
WO-2017012963-A1 POLYMERIZABLE FATTY ACID-DERIVATIVE-MONOMERS WITH TERMINAL OLEFINIC DOUBLE BONDS, POLYMERS CONTAINING SAME MONOMERS, PRODUCTION AND USE THEREOF BASF SE (DE) 2017-01-26 WO disclosed
WO-2015106058-A1 PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS MERCK PATENT GMBH (DE) 2015-07-16 WO disclosed
US-8623343-B2 Highly cationic copolymers based on quaternized nitrogen-containing monomers BASF SE (DE) 2014-01-07 US disclosed
US-20130108959-A1 USE OF A COMPOSITION COMPRISING VINYL MONOMER-COMPRISING POLYMER, SOLVENT AND AT LEAST ONE HALOGEN-FREE BIOCIDE BASF SE (DE) 2013-05-02 US disclosed
US-20120118446-A1 AQUEOUS METAL QUENCHING MEDIUM BASF SE (DE) 2012-05-17 US disclosed
WO-1999064426-A1 HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1999-12-16 WO disclosed
US-4721768-A Azetidinedione-monocarbonamide capped prepolymer THE DOW CHEMICAL COMPANY (US) 1988-01-26 US disclosed
US-4668756-A POLYLACTAM BLOCK POLYMERS THE DOW CHEMICAL COMPANY (US) 1987-05-26 US disclosed
US-4604450-A ANIONIC POLYMERIZATION OF LACTAMS; RIM; RING OPENING THE DOW CHEMICAL COMPANY (US) 1986-08-05 US disclosed
EP-0163954-A2 Copolymers of lactams and azetidine-2,4-dione-based prepolymers THE DOW CHEMICAL COMPANY (US) 1985-12-11 EP disclosed
US-4550157-A ANIONIC POLYMERIZATION CATALYST THE DOW CHEMICAL COMPANY (US) 1985-10-29 US disclosed
US-4423204-A HEAT RESISTANCE MOLDING MATERIALS THE UPJOHN COMPANY (US) 1983-12-27 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 (1 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-10314841-B2 Substituted pyrazoles as IRAK inhibitors IRAK2, IRAK3, IRAK1 HTT 4519/4885OR51E2 4168/4885FKBP5 2235/4885

“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.