SCHEMBL14538579

SCHEMBL14538579

CC12CCC3C1C3(C)[C@H]2NC(=O)c1nn(Cc2ccccc2)c2c1CCCCC2c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CNR2 P34972 3/20 0.35
CNR1 P21554 2/20 0.35
RIPK1 Q13546 1/20 0.34
BRD4 O60885 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CHRM1 P11229 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
HTR3A P46098 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL176602 0.83 CNR2 (0.48) CNR2CNR1
SCHEMBL14267672 0.82 CNR1 (0.38) SMN1; SMN2ALDH1A1CNR2CNR1RIPK1
SCHEMBL13871547 0.80 CNR2 (0.47) CNR2CNR1
SCHEMBL3467155 0.78 MEN1 (0.42) SMN1; SMN2ALDH1A1CNR2CNR1CCNA2
SCHEMBL176699 0.77 ALDH1A1 (0.46) ALDH1A1CNR2CNR1SMYD3
SCHEMBL177139 0.76 KMT2A (0.54) SMN1; SMN2ALDH1A1CNR2CNR1CCNA2
SCHEMBL176709 0.76 CNR1 (0.43) SMN1; SMN2ALDH1A1CNR2CNR1SIGMAR1
SCHEMBL13871545 0.76 CNR1 (0.43) SMN1; SMN2ALDH1A1CNR2CNR1RIPK1
SCHEMBL13889389 0.76 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1CNR2CNR1CRHBP
SCHEMBL14028632 0.76 CYP19A1 (0.37) CYP19A1SMN1; SMN2ALDH1A1BRD4CRHBP

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-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-31 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-20070123578-A1 Hexahydro-cycloheptapyrazole cannabinoid modulators CNR2, CNR1, FAAH CYP19A1 1593/4885SMN1; SMN2 3095/4885ALDH1A1 1422/4885

“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.