SCHEMBL22048337

SCHEMBL22048337

CN1CC(c2ccc(Cl)cc2)C1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.53
DRD2 P14416 1/20 0.52
LSS P48449 2/20 0.50
SLC6A3 Q01959 3/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
HTR3A P46098 1/20 0.44
ADRA1A P35348 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
SCHEMBL23134213 0.84 LSS (0.60) SRD5A1DRD2LSSSLC6A3SLC6A2
SCHEMBL8082343 0.84 LSS (0.60) SRD5A1DRD2LSSSLC6A3SLC6A2
SCHEMBL11314494 0.83 DRD2 (0.46) SRD5A1DRD2LSSSLC6A3SLC6A2
SCHEMBL11314498 0.83 DRD2 (0.46) SRD5A1DRD2LSSSLC6A3SLC6A2
SCHEMBL11314491 0.83 DRD2 (0.46) SRD5A1DRD2LSSSLC6A3SLC6A2
SCHEMBL13416033 0.81 LSS (0.74) SRD5A1DRD2LSSSLC6A3SLC6A2
SCHEMBL16846492 0.79 SRD5A1 (0.46) SRD5A1DRD2LSSSLC6A3SLC6A2
SCHEMBL15492553 0.79 SLC6A2 (0.44) SLC6A3SLC6A2SLC6A4
SCHEMBL7239508 0.78 LSS (0.73) SRD5A1DRD2LSSSLC6A3
SCHEMBL23978587 0.78 DRD2 (0.58) SRD5A1DRD2LSSSLC6A3HTR3A

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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed
US-20200172518-A1 SULFONAMIDE-SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS DUB INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2020-06-04 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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 SRD5A1 2451/4885DRD2 2870/4885LSS 2691/4885
US-20200172518-A1 SULFONAMIDE-SUBSTITUTED CYANOPYRROLIDINES WITH ACTIVITY AS DUB INHIBITORS USP30, USP1, USP39 SRD5A1 2276/4885DRD2 4570/4885LSS 3032/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 SRD5A1 2451/4885DRD2 2870/4885LSS 2691/4885

“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.