SCHEMBL3369697

SCHEMBL3369697

S=C1c2ccc(Cl)cc2CCc2cc(Cl)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
SRD5A1 P18405 3/20 0.52
SRD5A2 P31213 2/20 0.52
CYP19A1 P11511 6/20 0.46
CYP11B1 P15538 6/20 0.46
CYP11B2 P19099 6/20 0.46
TYMS P04818 1/20 0.44
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
METAP1 P53582 1/20 0.41
PNMT P11086 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
ADRB2 P07550 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
ABCB1 P08183 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39

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
SCHEMBL15282381 0.85 SRD5A1 (0.64) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL2601324 0.77 METAP1 (0.60) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL4068688 0.76 SRD5A1 (0.55) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL31029247 0.76 CASP1 (0.59) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL4706442 0.76 METAP1 (0.53) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL28603 0.76 CASP1 (0.59) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL18281237 0.74 PARP10 (0.50) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL3369293 0.73 CYP11B2 (0.46) SRD5A1CYP19A1CYP11B1CYP11B2PARP1
SCHEMBL15395916 0.72 METAP1 (0.50) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL4041916 0.72 HTT (0.50) HTTSRD5A1SRD5A2CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716132-B1 SPIRO-BENZODIOXOLES AND THEIR USE AS CB1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-08-25 EP disclosed
US-7144890-B2 Spiro-pentacyclic compounds HOFFMAN-LA ROCHE INC. (US) 2006-12-05 US disclosed
US-20050165012-A1 Spiro-pentacyclic compounds HOFFMANN-LA ROCHE INC. 2005-07-28 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-20050165012-A1 Spiro-pentacyclic compounds CNR1, CNR2, GPR119 HTT 2709/4885SRD5A1 285/4885SRD5A2 404/4885

“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.