SCHEMBL3722674

SCHEMBL3722674

CCNC(=O)N1CC[N]CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.72
HTT P42858 3/20 0.60
BRD4 O60885 1/20 0.38
POLB P06746 1/20 0.38
FAAH O00519 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPK1 P28482 1/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MTNR1B P49286 1/20 0.36
KDM4E B2RXH2 2/20 0.36
OPRD1 P41143 1/20 0.35

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
SCHEMBL5238995 0.84 KMT2A (0.54) KMT2AHTTTDP1MEN1KDM4E
SCHEMBL7510181 0.81 HTT (0.63) KMT2AHTTPOLBMAPK1TDP1
SCHEMBL19741751 0.80
SCHEMBL965286 0.80 KMT2A (0.82) KMT2AHTTPOLBMAPK1RAB9A
SCHEMBL7509981 0.80 HTT (0.57) KMT2AHTTPOLBMAPK1TDP1
SCHEMBL4803949 0.78 KMT2A (0.78) KMT2AHTTMAPK1RAB9ATDP1
SCHEMBL966438 0.78 KMT2A (0.78) KMT2AHTTMAPK1RAB9ATDP1
SCHEMBL17273858 0.78 KMT2A (0.78) KMT2AHTTMAPK1RAB9ATDP1
SCHEMBL7514353 0.78 HTT (0.55) KMT2AHTTPOLBMAPK1TDP1
SCHEMBL13674468 0.77 KMT2A (0.83) KMT2AHTTBRD4POLBFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2009-08-13 US claimed
US-20140221277-A1 Method For Elevating Prolactin In Mammals CARA THERAPEUTICS, INC. (US) 2014-08-07 US disclosed
US-20130012431-A1 Method For Elevating Prolactin In Mammals CARA THERAPEUTICS, INC. (US) 2013-01-10 US disclosed
US-8217000-B2 Method for elevating prolactin in mammals CARA THERAPEUTICS, INC. (US) 2012-07-10 US disclosed
US-20100029575-A1 N-Oxides of Kappa Receptor Peptides CARA THERAPEUTICS, INC. 2010-02-04 US disclosed
US-20090312271-A1 Method For Elevating Prolactin in Mammals CARA THERAPEUTICS INC. (US) 2009-12-17 US disclosed
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2009-08-13 US disclosed
EP-2040733-A2 METHOD FOR ELEVATING PROLACTIN IN MAMMALS Cara Therapeutics, Inc. (US) 2009-04-01 EP disclosed
EP-2029617-A2 N-OXIDES OF KAPPA OPIOID RECEPTOR PEPTIDES Cara Therapeutics, Inc. (US) 2009-03-04 EP disclosed
EP-1373234-B1 UROKINASE INHIBITORS WILEX AG (DE) 2008-02-13 EP disclosed
US-5811576-A 1-CARBOXY-2-LOWERALKYL-3,4,6-TRI(HALO)BENZENES; GRAMPOSITIVE AND-NEGATIVE BACTERIA; INFECTIONS; STERILIZATION OF MEDICAL EQUIPMENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-09-22 US disclosed
US-5723648-A Intermediates for anti-microbial benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
EP-0823413-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
US-5591744-A 1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATE DERIVATIVES; MICROBIOCIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-01-07 US disclosed
US-5563138-A 4-OXOQUINOLINE-3-CARBOXYLIC ACID COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-10-08 US disclosed
EP-0287951-B1 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5495020-A CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-02-27 US disclosed
US-5290934-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-01 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP 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 (5 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-20100029575-A1 N-Oxides of Kappa Receptor Peptides OPRD1, OPRK1, OPRM1 KMT2A 2362/4885HTT 3293/4885BRD4 3834/4885
US-20130012431-A1 Method For Elevating Prolactin In Mammals PRLHR, OPRK1, OPRL1 KMT2A 1918/4885HTT 1182/4885BRD4 3483/4885
US-20090312271-A1 Method For Elevating Prolactin in Mammals PRLHR, OPRK1, OPRL1 KMT2A 1918/4885HTT 1182/4885BRD4 3483/4885
US-20140221277-A1 Method For Elevating Prolactin In Mammals PRLHR, OPRK1, OPRL1 KMT2A 1918/4885HTT 1182/4885BRD4 3483/4885
US-20090203577-A1 Azepinoindole Derivatives As Pharmaceutical Agents NR1H4, NR1I2, GPBAR1 KMT2A 4612/4885HTT 4543/4885BRD4 1582/4885

“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.