SCHEMBL2339935

SCHEMBL2339935

CNc1ccc(C(=O)OC)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
KMT2A Q03164 4/20 0.54
PYGL P06737 1/20 0.51
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA12 O43570 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
XDH P47989 1/20 0.50
KDM4E B2RXH2 3/20 0.48
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 2/20 0.47
ATM Q13315 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL14820365 0.86 PRKCI (0.59) MAPTKMT2ACA1CA2CA12
SCHEMBL2343153 0.86 CA12 (0.65) KMT2APYGLCA1CA2CA12
SCHEMBL25073578 0.84 MAPT (0.58) MAPTKMT2APYGLCA1CA2
SCHEMBL761046 0.84 MAPT (0.58) MAPTKMT2APYGLCA1CA2
SCHEMBL14433132 0.84 LRRK2 (0.56) MAPTKMT2APYGLCA1CA2
SCHEMBL15693330 0.83 ALDH1A1 (0.62) MAPTKMT2APYGLKDM4EMEN1
SCHEMBL23970386 0.82 NOTUM (0.52) MAPTKMT2APYGLCA1CA2
SCHEMBL28261209 0.82 MAPT (0.48) MAPTKMT2APYGLCA1CA2
SCHEMBL25072710 0.81 MAPT (0.59) MAPTKMT2APYGLCA1CA2
SCHEMBL156940 0.81 MAPT (0.55) MAPTKMT2APYGLCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118047732-A Preparation process of dabigatran etexilate special intermediate 江苏阿尔法集团盛基药业(宿迁)有限公司 2024-05-17 CN disclosed
CN-117843617-A Intermediate compound of dabigatran etexilate and synthesis method thereof 江苏阿尔法药业股份有限公司 2024-04-09 CN disclosed
CN-116003384-A Synthesis method of dabigatran etexilate important intermediate 宿迁盛基医药科技有限公司 2023-04-25 CN disclosed
WO-2020071911-A1 PHOTORESPONSIVE NUTLIN DERIVATIVES AND USES THEREOF RIJKSUNIVERSITEIT GRONINGEN (NL) 2020-04-09 WO disclosed
EP-1568688-B1 THERAPEUTIC AGENT FOR RESPIRATORY DISEASE CONTAINING 4-HYDROXYPIPERIDINE DERIVATIVE AS ACTIVE INGREDIENT MOCHIDA PHARM CO LTD (JP) 2011-08-31 EP disclosed
EP-1568688-B1 THERAPEUTIC AGENT FOR RESPIRATORY DISEASE CONTAINING 4-HYDROXYPIPERIDINE DERIVATIVE AS ACTIVE INGREDIENT MOCHIDA PHARM CO LTD (JP) 2011-08-31 EP disclosed
US-7494987-B2 Agent for treating respiratory diseases containing 4-hydroxypiperidine derivative as active ingredient MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-02-24 US disclosed
US-7494987-B2 Agent for treating respiratory diseases containing 4-hydroxypiperidine derivative as active ingredient MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-02-24 US disclosed
US-20060040985-A1 Therapeutic agent for treating respiratory diseases containing 4-hydroxypiperidine derivative as active ingredient MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-02-23 US disclosed
EP-1568688-A1 THERAPEUTIC AGENT FOR RESPIRATORY DISEASE CONTAINING 4-HYDROXYPIPERIDINE DERIVATIVE AS ACTIVE INGREDIENT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP 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
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 MAPT 1579/4885KMT2A 1358/4885PYGL 4370/4885
US-20010011091-A1 Analgesics OPRL1, OPRK1, OPRD1 MAPT 2858/4885KMT2A 391/4885PYGL 3487/4885
US-20060040985-A1 Therapeutic agent for treating respiratory diseases containing 4-hydroxypiperidine derivative as active ingredient BRD7, RBBP7, NR0B1 MAPT 4685/4885KMT2A 2822/4885PYGL 4190/4885
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists OPRK1, OPRL1, OPRD1 MAPT 3756/4885KMT2A 678/4885PYGL 4391/4885
US-20010014683-A1 Analgesics; side effect reduction OPRL1, OPRK1, OPRD1 MAPT 3404/4885KMT2A 418/4885PYGL 3387/4885
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease OPRL1, NAP1L1, OPRK1 MAPT 2088/4885KMT2A 1560/4885PYGL 3400/4885

“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.