SCHEMBL7796963

SCHEMBL7796963

OC1(C2CCCCC2)CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
MAPT P10636 1/20 0.38
EPHX1 P07099 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16927480 0.93 MAPT (0.35) OPRM1OPRD1OPRK1OPRL1MAPT
SCHEMBL3052069 0.87 MAPT (0.33) OPRM1OPRK1OPRL1MAPT
SCHEMBL18019792 0.86 MAPT (0.36) OPRM1OPRD1OPRK1OPRL1MAPT
SCHEMBL17472486 0.86 MAPT (0.36) OPRM1OPRD1OPRK1OPRL1MAPT
SCHEMBL18065630 0.82 MAPT (0.40) MAPTTSHRALDH1A1
SCHEMBL18566703 0.82 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1MAPT
SCHEMBL31550466 0.82 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1MAPT
SCHEMBL25846218 0.81 MAPT (0.38) OPRM1OPRD1OPRK1OPRL1MAPT
SCHEMBL4879988 0.80 MAPT (0.43) MAPTTSHRLMNAALDH1A1
SCHEMBL4879992 0.80 MAPT (0.43) MAPTTSHRLMNAALDH1A1

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-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
US-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents DINNELL KEVIN (GB) 2001-11-08 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 (4 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-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 OPRM1 4665/4885OPRD1 4227/4885OPRK1 4234/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 OPRM1 1787/4885OPRD1 1381/4885OPRK1 697/4885
US-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents IDO1, IDO2, CNR2 OPRM1 9/4885OPRD1 4/4885OPRK1 5/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 OPRM1 1787/4885OPRD1 1381/4885OPRK1 697/4885

“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.