SCHEMBL7084989

SCHEMBL7084989

C=CCNC(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.62
ALDH1A1 P00352 4/20 0.61
HPGD P15428 3/20 0.59
CYP1A2 P05177 2/20 0.59
HTT P42858 4/20 0.56
MAPT P10636 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GAA P10253 1/20 0.54
NCOA1 Q15788 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 2/20 0.51
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL27812825 0.85 MAPT (0.49) CTSDALDH1A1HPGDCYP1A2HTT
SCHEMBL8117817 0.83 CTSD (0.68) CTSDALDH1A1HPGDCYP1A2HTT
SCHEMBL8598126 0.81 SMN1; SMN2 (0.54) ALDH1A1HPGDCYP1A2HTTMAPT
SCHEMBL10602289 0.81 CTSD (0.70) CTSDALDH1A1HPGDCYP1A2HTT
SCHEMBL25408714 0.80 HPGD (0.66) ALDH1A1HPGDCYP1A2HTTSMN1; SMN2
SCHEMBL11721239 0.80 SMN1; SMN2 (0.52) ALDH1A1HPGDCYP1A2HTTMAPT
SCHEMBL27261175 0.80 CTSD (0.64) CTSDALDH1A1HPGDCYP1A2HTT
SCHEMBL13753006 0.80 CTSD (0.68) CTSDALDH1A1HPGDCYP1A2HTT
SCHEMBL27499127 0.80 ALDH1A1 (0.67) CTSDALDH1A1CYP1A2HTTMAPT
SCHEMBL11356571 0.80 CTSD (0.68) CTSDALDH1A1HPGDCYP1A2HTT

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 17 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-6313302-B2 OPIOID KAPPA RECEPTOR ANTAGONISTS; SIDE EFFECT REDUCTION; ANALGESICS, ANTIINFLAMMATORY AGENTS, ANESTHETICS, AND NEUROPROTECTANTS PFIZER INC. 2001-11-06 US 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-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
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
US-5173496-A Antiinflammatory agents ICI PHARMA (FR) 1992-12-22 US disclosed
EP-0284174-B1 THERAPEUTIC PREPARATIONS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-29 EP disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 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 (4 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 CTSD 4196/4885ALDH1A1 842/4885HPGD 399/4885
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists OPRK1, OPRL1, OPRD1 CTSD 3837/4885ALDH1A1 2841/4885HPGD 1798/4885
US-20010014683-A1 Analgesics; side effect reduction OPRL1, OPRK1, OPRD1 CTSD 4222/4885ALDH1A1 851/4885HPGD 1278/4885
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease OPRL1, NAP1L1, OPRK1 CTSD 4740/4885ALDH1A1 1095/4885HPGD 1269/4885

“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.