SCHEMBL23135331

SCHEMBL23135331

CCCN1CCC2(CCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA1B P35368 1/20 0.39
DRD2 P14416 5/20 0.37
DRD3 P35462 2/20 0.37
SIGMAR1 Q99720 3/20 0.35
CYP2D6 P10635 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
TSHR P16473 1/20 0.33
EBP Q15125 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL21107507 0.93 KDM4E (0.43) KDM4EHTR1AADRA1BDRD2DRD3
SCHEMBL19969935 0.89 HTR1A (0.39) KDM4EHTR1AADRA1BDRD2DRD3
SCHEMBL22958640 0.86 OPRM1 (0.40) KDM4EDRD2DRD3CYP2D6S1PR1
SCHEMBL23135328 0.86 DRD2 (0.49) DRD2DRD3SIGMAR1CYP2D6CYP1A2
SCHEMBL24589644 0.86 KDM4E (0.40) KDM4EDRD2DRD3SIGMAR1CYP2D6
SCHEMBL24847793 0.82 KDM4E (0.41) KDM4EHTR1AADRA1BDRD2DRD3
SCHEMBL25622445 0.82 OPRM1 (0.40) KDM4EHTR1AADRA1BDRD2DRD3
SCHEMBL21107120 0.81 TSHR (0.41) KDM4EDRD2DRD3SIGMAR1S1PR1
SCHEMBL23900336 0.80 CYP1A2 (0.46) KDM4EDRD2DRD3SIGMAR1CYP2D6
SCHEMBL10263353 0.80 TSHR (0.50) KDM4EDRD3CYP2D6CYP1A2ALOX15

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 2 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
US-20210087213-A1 DIANILINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2021-03-25 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-20210087213-A1 DIANILINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY ALK, BRAF, MUSK KDM4E 1304/4885HTR1A 4194/4885ADRA1B 4112/4885

“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.