SCHEMBL3088977

SCHEMBL3088977

CC(O)(c1ccccc1)C1CCCN1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.70
CYP1A2 P05177 2/20 0.70
CYP2C19 P33261 2/20 0.70
KDM4E B2RXH2 1/20 0.70
NPC1 O15118 1/20 0.70
HPGD P15428 1/20 0.70
MAPK1 P28482 1/20 0.70
RAB9A P51151 1/20 0.70
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HRH1 P35367 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CHRM3 P20309 1/20 0.36

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
SCHEMBL14227426 1.00 CYP2D6 (0.70) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL14227427 1.00 CYP2D6 (0.70) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL16931709 1.00 CYP2D6 (0.70) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL16640675 1.00 CYP2D6 (0.70) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL19841237 1.00 CYP2D6 (0.70) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL20833321 1.00 CYP2D6 (0.70) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL20833053 0.95 CYP2D6 (0.63) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL20833279 0.95 CYP2D6 (0.63) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL20833147 0.95 CYP2D6 (0.63) CYP2D6CYP1A2CYP2C19KDM4ENPC1
SCHEMBL20850797 0.93 CYP2D6 (0.61) CYP2D6CYP1A2CYP2C19KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117487048-A Olefin polymerization catalyst, preparation method and application 万华化学集团股份有限公司 2024-02-02 CN disclosed
CN-112007045-A Chiral control 波涛生命科学有限公司 2020-12-01 CN disclosed
WO-2020191252-A1 TECHNOLOGIES USEFUL FOR OLIGONUCLEOTIDE PREPARATION WAVE LIFE SCIENCES LTD. (SG) 2020-09-24 WO disclosed
CN-104661664-B Chiral control 波涛生命科学有限公司 2020-07-03 CN disclosed
CN-104661664-A Chiral control WAVE LIFE SCIENCES PTY LTD 2015-05-27 CN disclosed
US-7799952-B2 Stereoselective method for the production of (R)-Dimepranol RATIOPHARM GMBH (DE) 2010-09-21 US disclosed
US-20090149677-A1 Stereoselective Method for the Production of (R)-Dimepranol RATIOPHARM GMBH (DE) 2009-06-11 US disclosed
US-7507827-B2 Stereoselective method for the production of Clopidogrel RATIOPHARM GMBH (DE) 2009-03-24 US disclosed
EP-1737868-B1 STEREOSELECTIVE METHOD FOR THE PRODUCTION OF CLOPIDOGREL RATIOPHARM GMBH (DE) 2008-02-27 EP disclosed
US-20070219166-A1 Stereoselective Method for the Production of Clopidogrel RATIOPHARM GMBH (DE) 2007-09-20 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 CYP2D6 450/4885CYP1A2 282/4885CYP2C19 1154/4885
US-20010011091-A1 Analgesics OPRL1, OPRK1, OPRD1 CYP2D6 128/4885CYP1A2 77/4885CYP2C19 543/4885
US-20090149677-A1 Stereoselective Method for the Production of (R)-Dimepranol ADH5, ADH1A, ADH1C CYP2D6 12/4885CYP1A2 26/4885CYP2C19 65/4885
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists OPRK1, OPRL1, OPRD1 CYP2D6 1324/4885CYP1A2 363/4885CYP2C19 1984/4885
US-20070219166-A1 Stereoselective Method for the Production of Clopidogrel CYP2C19, ADH1C, TBXA2R CYP2D6 18/4885CYP1A2 22/4885CYP2C19 1/4885
US-20010014683-A1 Analgesics; side effect reduction OPRL1, OPRK1, OPRD1 CYP2D6 116/4885CYP1A2 75/4885CYP2C19 691/4885
US-20010008890-A1 Useful as analgesic, anesthetic, antiinflammatory or neuroprotective agents and in treatment of arthritis, stroke, bowel disease OPRL1, NAP1L1, OPRK1 CYP2D6 817/4885CYP1A2 433/4885CYP2C19 2213/4885

“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.