SCHEMBL13345971

SCHEMBL13345971

C=CC[C@@]1(O)CC[C@H](OCc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.47
OPRL1 P41146 2/20 0.47
DPP4 P27487 1/20 0.47
SIGMAR1 Q99720 2/20 0.43
BCHE P06276 2/20 0.39
EPHX2 P34913 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
TMEM97 Q5BJF2 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HDAC4 P56524 1/20 0.34
AGTR2 P50052 2/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL14602694 1.00 OPRM1 (0.47) OPRM1OPRL1DPP4SIGMAR1BCHE
SCHEMBL29197407 0.92 OPRM1 (0.52) OPRM1OPRL1DPP4SIGMAR1BCHE
SCHEMBL31570422 0.90 BCHE (0.41) OPRM1OPRL1DPP4SIGMAR1BCHE
SCHEMBL23364774 0.81 DPP4 (0.61) OPRM1OPRL1DPP4SIGMAR1BCHE
SCHEMBL11982107 0.77 BCHE (0.32) OPRM1OPRL1DPP4BCHECTSL
SCHEMBL11963562 0.77 GBA1 (0.39)
SCHEMBL11945826 0.77 OPRM1 (0.55) OPRM1OPRL1DPP4SIGMAR1BCHE
SCHEMBL16214739 0.76 SMN1; SMN2 (0.40)
SCHEMBL1666432 0.76 SMN1; SMN2 (0.40)
SCHEMBL1794744 0.76 BCHE (0.40) OPRM1OPRL1DPP4SIGMAR1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9808527-B2 Methods and compositions for treating HIV infections PURDUE RESEARCH FOUNDATION (US) 2017-11-07 US disclosed
US-9808527-B2 Methods and compositions for treating HIV infections PURDUE RESEARCH FOUNDATION (US) 2017-11-07 US disclosed
US-20100113582-A1 METHODS AND COMPOSITIONS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-06 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-20100113582-A1 METHODS AND COMPOSITIONS FOR TREATING HIV INFECTIONS SERPINB1, HPN, PRSS1 OPRM1 2750/4885OPRL1 4120/4885DPP4 333/4885

“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.