SCHEMBL21392838

SCHEMBL21392838

COc1cccc(C2CCCN2C(=O)CCl)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.52
SCD5 Q86SK9 2/20 0.50
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
ADAM17 P78536 1/20 0.50
HSD17B10 Q99714 1/20 0.49
UTS2R Q9UKP6 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL28168304 0.86 ROCK2 (0.56) ROCK2SCD5OPRM1OPRK1ADAM17
SCHEMBL8542566 0.81 ROCK2 (0.62) ROCK2SCD5HSD17B10KDM4EALDH1A1
SCHEMBL21392834 0.80 HSD17B10 (0.54) SCD5OPRM1OPRK1HSD17B10KDM4E
SCHEMBL21392963 0.80 ALDH1A1 (0.48) HSD17B10KDM4EALDH1A1LMNA
SCHEMBL18520901 0.80 ROCK2 (0.45) ROCK2SCD5OPRM1OPRK1ADAM17
SCHEMBL18510351 0.78 FKBP1A (0.52) ROCK2SCD5ADAM17
SCHEMBL27382202 0.78 DRD2 (0.57) ROCK2KDM4EALDH1A1LMNA
SCHEMBL19151688 0.77 ADAM17 (0.54) ROCK2SCD5OPRM1OPRK1ADAM17
SCHEMBL31518180 0.76 KDM4E (0.48) SCD5OPRM1HSD17B10KDM4EALDH1A1
SCHEMBL28056141 0.76 PPID (0.74) ROCK2OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 US disclosed
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY FRONTIER MEDICINES CORPORATION 2019-09-26 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 (3 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-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY ATG7, BECN1, SQSTM1 ROCK2 872/4885SCD5 2052/4885OPRM1 4145/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 ROCK2 3151/4885SCD5 4266/4885OPRM1 4613/4885
US-11666661-B2 Methods and compounds for targeted autophagy ATG7, BECN1, SQSTM1 ROCK2 872/4885SCD5 2052/4885OPRM1 4145/4885

“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.