SCHEMBL18019019

SCHEMBL18019019

C[C@H]1CC[C@](O)(c2ccc(F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.45
CHRNG P07510 1/20 0.45
CHRNB1 P11230 1/20 0.45
CHRNB2 P17787 1/20 0.45
SLC6A2 P23975 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
SLC6A3 Q01959 1/20 0.45
CHRND Q07001 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
OPRL1 P41146 2/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL9542156 1.00 CHRNA1 (0.45) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL16591193 0.82 OPRM1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL11796702 0.82 OPRM1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL7824744 0.81 OPRM1 (0.53) SLC6A2OPRM1OPRD1OPRK1OPRL1
SCHEMBL10897190 0.81 OPRM1 (0.44) SLC6A2SLC6A3ALDH1A1CYP1A2CYP3A4
SCHEMBL15335675 0.81 MAOB (0.47) ALDH1A1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL18905356 0.81 DRD2 (0.35) ALDH1A1CYP1A2CYP3A4CYP2C19OPRM1
SCHEMBL16536387 0.81 MAOB (0.47) ALDH1A1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL16536389 0.81 MAOB (0.47) ALDH1A1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL8443220 0.80 AQP1 (0.46) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738642-B2 Triazolopyridine ether derivatives and their use in neurological and pyschiatric disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
US-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2016-08-18 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 (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-20160237081-A1 TRIAZOLOPYRIDINE ETHER DERIVATIVES AND THEIR USE IN NEUROLOGICAL AND PYSCHIATRIC DISORDERS GRM2, GRIK2, GRIA2 CHRNA1 1622/4885CHRNG 2554/4885CHRNB1 2418/4885

“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.