SCHEMBL23707186

SCHEMBL23707186

CCC(C)[C@@H]1CCC(=O)N(C)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.41
BRD4 O60885 5/20 0.35
SRD5A2 P31213 2/20 0.35
BRD2 P25440 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TACR1 P25103 1/20 0.32
PTGER4 P35408 3/20 0.31
PTGER3 P43115 3/20 0.31
PTGER2 P43116 3/20 0.31
CYP11B2 P19099 1/20 0.31
ACE P12821 2/20 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
SCHEMBL24456727 0.82 SRD5A1 (0.44) SRD5A1BRD4SRD5A2BRD2TACR1
SCHEMBL7875670 0.82 SRD5A1 (0.44) SRD5A1BRD4SRD5A2BRD2TACR1
SCHEMBL23107036 0.82 SRD5A1 (0.44) SRD5A1BRD4SRD5A2BRD2TACR1
SCHEMBL21408662 0.74 HCAR2 (0.33) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL917756 0.74 HCAR2 (0.33) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL21254092 0.73 BRD4 (0.45) SRD5A1BRD4SRD5A2BRD2
SCHEMBL23132331 0.72 PIK3CD (0.38) BRD4BRD2ALDH1A1CYP3A4CYP2C9
SCHEMBL26326345 0.72 PIK3CD (0.38) BRD4BRD2ALDH1A1CYP3A4CYP2C9
SCHEMBL21859839 0.71 BRD4 (0.47) SRD5A1BRD4SRD5A2BRD2CYP11B2
SCHEMBL23107033 0.71 BRD4 (0.47) SRD5A1BRD4SRD5A2BRD2CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists Nimbus Saturn, Inc. (US) 2021-08-03 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-11078201-B2 Substituted isoindolin-1-ones and 2,3-dihydro-1H-pyrrol[3,4-c]pyridin-1-ones as HPK1 antagonists HIPK1, PDXK, IP6K1 SRD5A1 2100/4885BRD4 1299/4885SRD5A2 2447/4885

“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.