SCHEMBL22958640

SCHEMBL22958640

CCCN1CCC2(CCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.40
OPRL1 P41146 3/20 0.40
TSHR P16473 1/20 0.39
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 2/20 0.33

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
SCHEMBL25622445 0.96 OPRM1 (0.40) OPRM1OPRL1TSHRDRD2DRD3
SCHEMBL24841879 0.91 OPRM1 (0.45) OPRM1OPRL1TSHRDRD2DRD3
SCHEMBL27397821 0.87 OPRM1 (0.43) OPRM1OPRL1TSHRDRD2DRD3
SCHEMBL23135331 0.86 KDM4E (0.40) TSHRDRD2DRD3S1PR1S1PR3
SCHEMBL18820461 0.84 TSHR (0.46) OPRM1OPRL1TSHRDRD2DRD3
SCHEMBL26718342 0.84 TSHR (0.31) TSHRKDM4E
SCHEMBL12716639 0.83 TSHR (0.52) OPRM1OPRL1TSHRDRD2DRD3
SCHEMBL24204299 0.83 OPRM1 (0.40) OPRM1OPRL1TSHRDRD2DRD3
SCHEMBL19121465 0.82 TSHR (0.55) OPRM1OPRL1TSHRCYP2D6
SCHEMBL21107120 0.82 TSHR (0.41) OPRM1OPRL1TSHRDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024081311-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2024-04-18 WO disclosed
WO-2023107606-A1 BCL-XL/BCL-2 DUAL DEGRADERS FOR TREATMENT OF CANCERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-06-15 WO disclosed
WO-2023108103-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC (US) 2023-06-15 WO disclosed
EP-3798214-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2021-03-31 EP disclosed
US-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-02-11 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-20210040083-A1 GCN2 INHIBITORS AND USES THEREOF EIF2AK4, GCN1, GCGR OPRM1 4085/4885OPRL1 1670/4885TSHR 4808/4885

“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.