SCHEMBL6071368

SCHEMBL6071368

c1ccc(C2(c3ccccc3)CCCN2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
HTR2A P28223 1/20 0.42
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 1/20 0.39
DPP4 P27487 1/20 0.38
AKR1C1 Q04828 1/20 0.38
NPY5R Q15761 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37

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
Methyl Alcohol SCHEMBL8153725 0.94 OPRM1 (0.41) OPRM1HTR2AGRIN1GRIN2AGRIN2B
SCHEMBL27306600 0.93 OPRM1 (0.43) OPRM1HTR2AGRIN1GRIN2AGRIN2B
SCHEMBL4780555 0.88 OPRM1 (0.50) OPRM1HTR2ADPP4AKR1C1NPY5R
SCHEMBL1670566 0.86 OPRM1 (0.35) OPRM1HTR2AGRIN1GRIN2AGRIN2B
Methyl Alcohol SCHEMBL8520431 0.82 OPRM1 (0.45) OPRM1HTR2AAKR1C1NPY5ROPRK1
SCHEMBL1958095 0.78 OPRM1 (0.57) OPRM1HTR2ANPY5R
SCHEMBL1959361 0.77 HTR2A (0.47) OPRM1HTR2ANPY5R
SCHEMBL28175729 0.76 OPRM1 (0.43) OPRM1HTR2AGRIN1GRIN2AGRIN2B
SCHEMBL9198597 0.75 AKR1B1 (0.50) HTR2A
SCHEMBL15995119 0.74 OPRM1 (0.42) OPRM1HTR2AGRIN1GRIN2AOPRK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
US-5714500-A 2-phenyl- and 2-thienyl-(2)-piperidine derivatives having neuroprotective properties ASTRA AB (SE) 1998-02-03 US disclosed
EP-0553278-B1 2-PHENYL-AND 2-THIENYL-(2)-PIPERIDINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES ASTRA AB (SE) 1997-06-04 EP disclosed
EP-0588850-A1 N-HYDROXYUREA DERIVATIVES WHICH INHIBIT LIPOXYGENASE. PFIZER (US) 1994-03-30 EP disclosed
EP-0553278-A1 2-PHENYL-AND 2-THIENYL-(2)-PIPERIDINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES. FISONS CORP (US) 1993-08-04 EP disclosed
WO-1992022543-A1 N-HYDROXYUREA DERIVATIVES WHICH INHIBIT LIPOXYGENASE PFIZER INC. (US) 1992-12-23 WO disclosed
WO-1992006957-A1 2-PHENYL-AND 2-THIENYL-(2)-PIPERIDINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES FISONS CORPORATION (US) 1992-04-30 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 (1 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 OPRM1 389/4885HTR2A 719/4885GRIN1 198/4885

“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.