SCHEMBL13136752

SCHEMBL13136752

CN1Cc2ccc(Cl)cc2CCC1=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 12/20 0.50
SRD5A2 P31213 3/20 0.50
HSD17B3 P37058 2/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOTUM Q6P988 1/20 0.39
P2RX7 Q99572 1/20 0.38

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
SCHEMBL29481934 0.84 P2RX7 (0.42) SRD5A1SRD5A2HSD17B3LMNASMN1; SMN2
SCHEMBL23957375 0.84 P2RX7 (0.42) SRD5A1SRD5A2HSD17B3LMNASMN1; SMN2
SCHEMBL4307204 0.81 CYP11B2 (0.44) SRD5A1SRD5A2KMT2ALMNASMN1; SMN2
SCHEMBL2061217 0.76 MAOA (0.52) SRD5A1HSD17B3NOTUM
SCHEMBL11263558 0.74 SRD5A1 (0.55) SRD5A1SRD5A2HSD17B3HTR2AHTR2C
SCHEMBL11255201 0.74 SRD5A1 (0.59) SRD5A1SRD5A2HSD17B3KMT2ANOTUM
SCHEMBL6883015 0.73 MAOA (0.59) HTR2AHTR2CHTR2B
SCHEMBL2061268 0.72 ATAD2 (0.50) HSD17B3HTR2AKMT2ALMNA
SCHEMBL15962624 0.72
SCHEMBL588130 0.72 CYP2A6 (0.54) SRD5A1SRD5A2HTR2AHTR2CHTR2B

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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 SRD5A1 1381/4885SRD5A2 1266/4885HSD17B3 944/4885

“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.