SCHEMBL10192254

SCHEMBL10192254

CC(C)(C)C1CCCc2cc(Cl)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.43
HTR2A P28223 4/20 0.43
HTR2B P41595 4/20 0.43
SRD5A1 P18405 4/20 0.40
SRD5A2 P31213 2/20 0.40
KDM4C Q9H3R0 2/20 0.36
KDM1A O60341 1/20 0.36
KDM5A P29375 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
AGTR1 P30556 1/20 0.34

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
SCHEMBL12862912 0.90 SRD5A1 (0.46) HTR2CHTR2AHTR2BSRD5A1SRD5A2
SCHEMBL13924864 0.90 SRD5A1 (0.46) HTR2CHTR2AHTR2BSRD5A1SRD5A2
SCHEMBL20224128 0.81 SRD5A1 (0.41) HTR2CHTR2ASRD5A1KDM4CKDM5A
SCHEMBL25242603 0.80 KDM4C (0.44) HTR2CHTR2AHTR2BSRD5A1SRD5A2
SCHEMBL12084123 0.78 CHRNA7 (0.48) HTR2C
SCHEMBL15577013 0.77 HTR2C (0.58) HTR2CHTR2AHTR2BSRD5A1SRD5A2
SCHEMBL19302170 0.77 HTR2C (0.58) HTR2CHTR2AHTR2BSRD5A1SRD5A2
SCHEMBL18468830 0.77 HTR2C (0.58) HTR2CHTR2AHTR2BSRD5A1SRD5A2
SCHEMBL5516514 0.76 ALDH1A1 (0.43) ESR1ESR2GAATSHR
SCHEMBL21367925 0.76 HTR2B (0.46) HTR2CHTR2AHTR2BSRD5A1SRD5A2

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
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 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-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 HTR2C 45/4885HTR2A 42/4885HTR2B 81/4885

“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.