SCHEMBL6983630

SCHEMBL6983630

CCCNC(=O)c1ccc(NO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
HDAC3 O15379 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC2 Q92769 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
SCHEMBL14777576 0.86 L3MBTL1 (0.71) KMT2AL3MBTL1ALDH1A1HDAC3HDAC1
SCHEMBL6975868 0.85 HDAC3 (0.60) KDM4EKMT2ANAMPTL3MBTL1ALDH1A1
SCHEMBL12266946 0.85 KMT2A (0.58) KDM4EKMT2ANAMPTL3MBTL1ALDH1A1
SCHEMBL10294734 0.84 KDM4E (0.57) KDM4EKMT2ANAMPTL3MBTL1ALDH1A1
SCHEMBL21123738 0.84 KDM4E (0.61) KDM4EKMT2ANAMPTL3MBTL1ALDH1A1
SCHEMBL6427978 0.82 L3MBTL1 (0.66) KMT2AL3MBTL1ALDH1A1HDAC3HDAC1
SCHEMBL14350257 0.82 KDM4E (0.64) KDM4EKMT2ANAMPTL3MBTL1ALDH1A1
SCHEMBL10294123 0.82 KMT2A (0.55) KDM4EKMT2ANAMPTL3MBTL1ALDH1A1
SCHEMBL5508324 0.82 ALDH1A1 (0.70) KDM4EKMT2ANAMPTALDH1A1HDAC3

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 13 patents. 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 disclosed
US-6310061-B2 OPIOID RECEPTOR SUBTYPE KAPPA; USE AS ANALGESIC, ANESTHETIC, ANTIINFLAMMATORY OR NEUROPROTECTIVE AGENT, FOR TREATMENT OF ARTHRITIS, STROKE OR FUNCTIONAL BOWEL DISEASE; REDUCED DRUG DEPENDENCY SIDE EFFECTS PFIZER INC. 2001-10-30 US disclosed
US-6307061-B2 USEFUL AS AN ANALGESIC, ANESTHETIC, ANTI-INFLAMMATORY OR NEUROPROTECIVE AGENT PFIZER INC. 2001-10-23 US disclosed
US-6303602-B1 USEFUL AS ANALGESIC, ANESTHETIC, ANTI-INFLAMMATORY OR NEUROPROTECTIVE AGENT, OR FOR THERAPY OF ARTHRITIS, STROKE OF FUNCTIONAL BOWEL DISEASE PFIZER INC. 2001-10-16 US disclosed
US-6294557-B1 ANALGESIC AT CENTRAL NERVOUS SYSTEM IN THE MAMMALIAN SUBJECT. ALSO, THESE COMPOUNDS ARE INFLAMMATORY PAIN CAUSED, FOR EXAMPLE BY BURNS (INDUCED BY A CONTACT WITH HEAT, ACID OR THE OTHER RHEUMATISM OR THE LIKE, IN THE SAID SUBJECT. PFIZER INC. 2001-09-25 US disclosed
US-6294569-B2 ANALGESIC AT CENTRAL NERVOUS SYSTEM IN THE MAMMALIAN SUBJECT. ALSO, THESE COMPOUNDS ARE INFLAMMATORY PAIN CAUSED, FOR EXAMPLE BY BURNS (INDUCED BY A CONTACT WITH HEAT, ACID OR THE OTHER RHEUMATISM OR THE LIKE, IN THE SAID SUBJECT. PFIZER INC. 2001-09-25 US disclosed
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists ITO FUMITAKA (JP) 2001-09-06 US disclosed
US-20010014683-A1 Analgesics; side effect reduction ITO FUMITAKA (JP) 2001-08-16 US disclosed
US-20010011091-A1 Analgesics ITO FUMITAKA (JP) 2001-08-02 US 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

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-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor OPRL1, OPRD1, OPRK1 KDM4E 2230/4885KMT2A 1358/4885NAMPT 3897/4885
US-20010011091-A1 Analgesics OPRL1, OPRK1, OPRD1 KDM4E 1759/4885KMT2A 391/4885NAMPT 4544/4885
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists OPRK1, OPRL1, OPRD1 KDM4E 1781/4885KMT2A 678/4885NAMPT 4598/4885
US-20010014683-A1 Analgesics; side effect reduction OPRL1, OPRK1, OPRD1 KDM4E 1884/4885KMT2A 418/4885NAMPT 4627/4885
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease OPRL1, NAP1L1, OPRK1 KDM4E 2860/4885KMT2A 1560/4885NAMPT 4453/4885

“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.