SCHEMBL6984008

SCHEMBL6984008

CNc1ccc(C(=O)OC)cn1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.68
NNMT P40261 1/20 0.66
MAPK1 P28482 2/20 0.62
KDM4E B2RXH2 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 1/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
GABRA5 P31644 1/20 0.45

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
Hydrochloric Acid SCHEMBL4035911 0.87 HCAR3 (0.66) HCAR3NNMTMAPK1KDM4EL3MBTL1
SCHEMBL13739418 0.84 MAPK1 (0.61) HCAR3NNMTMAPK1KDM4EL3MBTL1
SCHEMBL12380464 0.83 HCAR3 (0.60) HCAR3NNMTKDM4EALDH1A1CA1
SCHEMBL1854705 0.82 MAPK1 (0.59) HCAR3NNMTMAPK1KDM4EL3MBTL1
SCHEMBL185895 0.81 HCAR3 (1.00) HCAR3NNMT
SCHEMBL12588541 0.81 HCAR3 (0.72) HCAR3NNMTMAPTKMT2A
SCHEMBL30403146 0.81 HCAR3 (1.00) HCAR3NNMT
SCHEMBL24003858 0.81 MAPK1 (0.62) HCAR3NNMTMAPK1KDM4EL3MBTL1
SCHEMBL10828401 0.81 MAPK1 (0.57) HCAR3NNMTMAPK1KDM4EL3MBTL1
SCHEMBL692654 0.81 HCAR3 (0.71) HCAR3MAPK1KDM4EL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158385-A1 NOVEL COMPOUNDS Cerevance, Inc. 2024-05-16 US disclosed
EP-4288433-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2023-12-13 EP disclosed
CN-117177958-A Small molecule modulators of alveolar type 2cell proliferation for the treatment of pulmonary diseases 斯克里普斯研究学院 2023-12-05 CN disclosed
WO-2022167819-A1 NOVEL COMPOUNDS Cerevance, Inc. (US) 2022-08-11 WO disclosed
EP-0934264-B1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER (US) 2003-09-10 EP disclosed
CN-1088702-C Disubstituted bicyclic heterocycles, their production and use as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2002-08-07 CN 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-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-1248251-A Disubstituted bicyclic heterocycles, their production and use as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2000-03-22 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-20240158385-A1 NOVEL COMPOUNDS KCNK3, KCNA4, KCNK13 HCAR3 322/4885NNMT 1669/4885MAPK1 1560/4885
US-20010009921-A1 Less tendency to cause drug dependency, analgesic, anesthetic, anti-inflammatory or neuroprotective agent; subtype of opoid receptor OPRL1, OPRD1, OPRK1 HCAR3 51/4885NNMT 1575/4885MAPK1 1168/4885
US-20010011091-A1 Analgesics OPRL1, OPRK1, OPRD1 HCAR3 60/4885NNMT 2984/4885MAPK1 1834/4885
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists OPRK1, OPRL1, OPRD1 HCAR3 90/4885NNMT 2642/4885MAPK1 1648/4885
US-20010014683-A1 Analgesics; side effect reduction OPRL1, OPRK1, OPRD1 HCAR3 46/4885NNMT 2857/4885MAPK1 1720/4885
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease OPRL1, NAP1L1, OPRK1 HCAR3 29/4885NNMT 3120/4885MAPK1 2708/4885

“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.