SCHEMBL3583059

SCHEMBL3583059

OC[C@@H](c1ccccc1)N1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.63
CYP1A2 P05177 6/20 0.62
CYP2C19 P33261 6/20 0.62
CYP3A4 P08684 5/20 0.62
CYP2D6 P10635 5/20 0.62
TSHR P16473 1/20 0.62
CYP2C9 P11712 5/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
KCNA5 P22460 4/20 0.55
KCNH2 Q12809 4/20 0.55
KCNE1 P15382 1/20 0.53
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.49
ALDH1A1 P00352 1/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL1205831 1.00 OPRL1 (0.63) OPRL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL8507420 1.00 OPRL1 (0.63) OPRL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL8074159 0.98 CYP1A2 (0.66) OPRL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL13039159 0.98 CYP1A2 (0.66) OPRL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL8074161 0.98 CYP1A2 (0.66) OPRL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL11702651 0.85 OPRL1 (0.49) OPRL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL5139722 0.83 SLC6A4 (0.68) OPRL1CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL14035499 0.83 SLC6A4 (0.68) OPRL1CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL11651599 0.83 OPRL1 (0.58) OPRL1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL7424307 0.82 ADRA2A (0.57) OPRL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3825318-A1 OXALAMIDO-SUBSTITUTED TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS Promidis S.r.l. (IT) 2021-05-26 EP disclosed
US-9771362-B2 [1,2,4]triazolo[1,5-a]pyridine and [1,2,4]triazolo[1,5-c]pyrimidine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-09-26 US disclosed
US-9771362-B2 [1,2,4]triazolo[1,5-a]pyridine and [1,2,4]triazolo[1,5-c]pyrimidine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-09-26 US disclosed
US-9771362-B2 [1,2,4]triazolo[1,5-a]pyridine and [1,2,4]triazolo[1,5-c]pyrimidine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-09-26 US disclosed
US-20170066762-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-03-09 US disclosed
US-20170066762-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-03-09 US disclosed
US-20170066762-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-03-09 US disclosed
US-9394301-B2 [1,2,4]triazolo[1,5-a]pyridine and [1,2,4]triazolo[1,5-c]pyrimidine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-07-19 US disclosed
US-9394301-B2 [1,2,4]triazolo[1,5-a]pyridine and [1,2,4]triazolo[1,5-c]pyrimidine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-07-19 US disclosed
US-9394301-B2 [1,2,4]triazolo[1,5-a]pyridine and [1,2,4]triazolo[1,5-c]pyrimidine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-07-19 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
US-6110947-A AN ANALGESIC AGENT FOR TREATING STROKE, ABDOMINAL PAIN; AS ANTIINFLAMMATORY, DIURETIC, ANESTHETIC OR NEUROPROTECTIVE AGENTS PFIZER INC. (US) 2000-08-29 US disclosed
US-5952369-A ANALGESIC, TREATMENT FOR STROKE OR ABDOMINAL PAIN ASSOCIATED WITH FUNCTIONAL BOWEL DISEASE PFIZER INC (US) 1999-09-14 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 (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 OPRL1 1/4885CYP1A2 282/4885CYP2C19 1154/4885
US-20010011091-A1 Analgesics OPRL1, OPRK1, OPRD1 OPRL1 1/4885CYP1A2 77/4885CYP2C19 543/4885
US-20010020024-A1 Pyrrolidinyl and pyrrolinyl ethylamine compounds as kappa agonists OPRK1, OPRL1, OPRD1 OPRL1 2/4885CYP1A2 363/4885CYP2C19 1984/4885
US-20170066762-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use AXL, TYRO3, FLT3 OPRL1 1886/4885CYP1A2 3284/4885CYP2C19 3044/4885
US-20010014683-A1 Analgesics; side effect reduction OPRL1, OPRK1, OPRD1 OPRL1 1/4885CYP1A2 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 OPRL1 1/4885CYP1A2 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.