SCHEMBL6975868

SCHEMBL6975868

CCCNC(=O)c1ccc(NC)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.60
HDAC1 Q13547 4/20 0.60
HDAC2 Q92769 3/20 0.60
KDM4E B2RXH2 1/20 0.58
KMT2A Q03164 1/20 0.58
NAMPT P43490 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NFKB1 P19838 1/20 0.49
KCNH2 Q12809 1/20 0.49
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
NAAA Q02083 1/20 0.49
CHRNA10 Q9GZZ6 1/20 0.48
CHRNA9 Q9UGM1 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL13918749 0.88 KDM4E (0.70) KDM4EKMT2ANAMPTL3MBTL1ALDH1A1
SCHEMBL18088415 0.88 L3MBTL1 (0.69) HDAC3HDAC1HDAC2KMT2ANAMPT
SCHEMBL18088426 0.86 L3MBTL1 (0.71) HDAC3HDAC1HDAC2KMT2AL3MBTL1
SCHEMBL14075729 0.85 HDAC3 (0.60) HDAC3HDAC1HDAC2KDM4EL3MBTL1
SCHEMBL6983630 0.85 KDM4E (0.58) HDAC3HDAC1HDAC2KDM4EKMT2A
SCHEMBL12266946 0.85 KMT2A (0.58) HDAC3HDAC1HDAC2KDM4EKMT2A
SCHEMBL25667930 0.85 HDAC1 (0.60) HDAC3HDAC1HDAC2L3MBTL1ALDH1A1
SCHEMBL13753745 0.85 HDAC3 (0.55) HDAC3HDAC1HDAC2KMT2ANAMPT
SCHEMBL21123738 0.84 KDM4E (0.61) KDM4EKMT2ANAMPTL3MBTL1ALDH1A1
SCHEMBL10294734 0.84 KDM4E (0.57) HDAC3HDAC1HDAC2KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934264-B1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER (US) 2003-09-10 EP claimed
US-6313302-B2 OPIOID KAPPA RECEPTOR ANTAGONISTS; SIDE EFFECT REDUCTION; ANALGESICS, ANTIINFLAMMATORY AGENTS, ANESTHETICS, AND NEUROPROTECTANTS PFIZER INC. 2001-11-06 US claimed
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists ITO FUMITAKA (JP) 2001-09-06 US claimed
US-20010014683-A1 Analgesics; side effect reduction ITO FUMITAKA (JP) 2001-08-16 US claimed
US-20010011091-A1 Analgesics ITO FUMITAKA (JP) 2001-08-02 US claimed
US-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor ITO FUMITAKA (JP) 2001-07-26 US claimed
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease ITO FUMITAKA (JP) 2001-07-19 US claimed
EP-0934264-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (US) 1999-08-11 EP claimed
WO-1998012177-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (JP) 1998-03-26 WO claimed
US-20220133711-A1 CAMPTOTHECIN DERIVATIVES IMMUNOGEN, INC. 2022-05-05 US disclosed
WO-2010144359-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS ABRAXIS BIOSCIENCE, LLC (US) 2010-12-16 WO disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-6624313-B2 Treating the corrresponding 3-protected hydroxypyrrolidine compound with a base in the presence of an alkyl alcohol and isolating the crystalline form WARNER-LAMBERT COMPANY LLC 2003-09-23 US disclosed
EP-0934264-B1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER (US) 2003-09-10 EP disclosed
US-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor ITO FUMITAKA (JP) 2001-07-26 US disclosed
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease ITO FUMITAKA (JP) 2001-07-19 US disclosed
US-6201007-B1 OPIOID KAPPA RECEPTOR AGONISTS; ANALGESICS, ANESTHETICS, NEUROPROTECTIVE AND ANTIINFLAMMATORY AGENTS; STROKES, GASTROINTESTINAL DISORDERS PFIZER INC. 2001-03-13 US disclosed
CN-1237962-A Pyrrolidinyl and pyrrolinyl ethylamine compounds as K agonists PFIZER (US) 1999-12-08 CN disclosed
EP-0934264-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (US) 1999-08-11 EP disclosed
WO-1998012177-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (JP) 1998-03-26 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 (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-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor OPRL1, OPRD1, OPRK1 HDAC3 618/4885HDAC1 972/4885HDAC2 989/4885
US-20010011091-A1 Analgesics OPRL1, OPRK1, OPRD1 HDAC3 974/4885HDAC1 2475/4885HDAC2 2130/4885
US-20220133711-A1 CAMPTOTHECIN DERIVATIVES TOP2A, TOP2B, PCNA HDAC3 3415/4885HDAC1 2203/4885HDAC2 3421/4885
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists OPRK1, OPRL1, OPRD1 HDAC3 2098/4885HDAC1 3361/4885HDAC2 3049/4885
US-20010014683-A1 Analgesics; side effect reduction OPRL1, OPRK1, OPRD1 HDAC3 667/4885HDAC1 1494/4885HDAC2 1191/4885
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease OPRL1, NAP1L1, OPRK1 HDAC3 1282/4885HDAC1 2341/4885HDAC2 1885/4885

“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.