SCHEMBL8692103

SCHEMBL8692103

CCCCNC(=O)CCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.57
CNR1 P21554 2/20 0.54
ALDH1A1 P00352 1/20 0.53
NAAA Q02083 1/20 0.53
FAAH O00519 4/20 0.50
DNM1 Q05193 1/20 0.47
EPHX1 P07099 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
PLA2G10 O15496 1/20 0.45
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.45
NOD1 Q9Y239 1/20 0.44

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
SCHEMBL14951758 0.94 CASP2 (0.66) CASP2CNR1ALDH1A1NAAAFAAH
SCHEMBL889286 0.92 CASP2 (0.69) CASP2CNR1ALDH1A1NAAAFAAH
SCHEMBL889167 0.92 CASP2 (0.69) CASP2CNR1ALDH1A1NAAAFAAH
SCHEMBL889212 0.92 CASP2 (0.69) CASP2CNR1ALDH1A1NAAAFAAH
SCHEMBL889294 0.92 CASP2 (0.69) CASP2CNR1ALDH1A1NAAAFAAH
SCHEMBL24393473 0.92 CASP2 (0.69) CASP2CNR1ALDH1A1NAAAFAAH
SCHEMBL889206 0.92 CASP2 (0.69) CASP2CNR1ALDH1A1NAAAFAAH
SCHEMBL889156 0.92 CASP2 (0.69) CASP2CNR1ALDH1A1NAAAFAAH
SCHEMBL889213 0.92 CASP2 (0.69) CASP2CNR1ALDH1A1NAAAFAAH
SCHEMBL889214 0.92 CASP2 (0.69) CASP2CNR1ALDH1A1NAAAFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-13 US disclosed
US-11685714-B2 Prodrugs of cytotoxic active agents having enzymatically cleavable groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-06-27 US disclosed
US-20230190940-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-06-22 US disclosed
US-20220016267-A1 NANOPARTICLES FOR CANCER DETECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-20 US disclosed
US-20190077752-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-03-14 US disclosed
WO-2017147328-A1 COMPOUNDS FOR BINDING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PORTOLA PHARMACEUTICALS, INC. (US) 2017-08-31 WO disclosed
US-20170197919-A1 3-(Carboxyethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives GRUENENTHAL GMBH (DE) 2017-07-13 US disclosed
US-9644195-B2 Compounds and methods for purification of serine proteases PORTOLA PHARMACEUTICALS, INC. (US) 2017-05-09 US disclosed
US-9200268-B2 Compounds and methods for purification of serine proteases PORTOLA PHARMACEUTICALS, INC. (US) 2015-12-01 US disclosed
US-20150337285-A1 COMPOUNDS AND METHODS FOR PURIFICATION OF SERINE PROTEASES ALEXION PHARMA INTERNATIONAL OPERATIONS UNLIMITED COMPANY (IE) 2015-11-26 US disclosed
US-20140346397-A1 COMPOUNDS AND METHODS FOR PURIFICATION OF SERINE PROTEASES ALEXION PHARMA INTERNATIONAL OPERATIONS UNLIMITED COMPANY (IE) 2014-11-27 US disclosed
US-20140186923-A1 COMPOUNDS AND METHODS FOR PURIFICATION OF SERINE PROTEASES PORTOLA PHARMACEUTICALS, INC. (US) 2014-07-03 US disclosed
US-7732416-B2 For protecting plants against parasitic feeding pests; also against the infestation of pets, especially cats and dogs, by fleas, ticks and nematodes; pesticides for crop protection MERIAL LIMITED (US) 2010-06-08 US disclosed
US-7605134-B2 Pesticides MERIAL LIMITED (US) 2009-10-20 US disclosed
US-7605134-B2 Pesticides MERIAL LIMITED (US) 2009-10-20 US disclosed
EP-1011733-B1 COMPOSITIONS AND METHODS FOR ENHANCING DELIVERY OF THERAPEUTIC AGENTS TO CELLS CANJI INC (US) 2009-06-24 EP disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 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 (7 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-11685714-B2 Prodrugs of cytotoxic active agents having enzymatically cleavable groups BUB1B, KIF5B, TK1 CASP2 776/4885CNR1 4712/4885ALDH1A1 1427/4885
US-20150337285-A1 COMPOUNDS AND METHODS FOR PURIFICATION OF SERINE PROTEASES PRSS1, HPN, PRSS8 CASP2 638/4885CNR1 4255/4885ALDH1A1 3498/4885
US-20170197919-A1 3-(Carboxyethyl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, PKD1 CASP2 395/4885CNR1 11/4885ALDH1A1 472/4885
US-20230219945-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CASP2 406/4885CNR1 2493/4885ALDH1A1 2776/4885
US-20230190940-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 CASP2 406/4885CNR1 2493/4885ALDH1A1 2776/4885
US-20190077752-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS BUB1B, KIF5B, TK1 CASP2 776/4885CNR1 4712/4885ALDH1A1 1427/4885
US-20220016267-A1 NANOPARTICLES FOR CANCER DETECTION CD63, TP53, NCL CASP2 1359/4885CNR1 4290/4885ALDH1A1 207/4885

“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.