SCHEMBL18324902

SCHEMBL18324902

COc1cccc2[nH]cc(C3CCN(S(C)(=O)=O)CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
HTR1F P30939 3/20 0.42
TSHR P16473 1/20 0.42
PDE4B Q07343 1/20 0.42
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR1B P28222 2/20 0.39
HTR1D P28221 1/20 0.39
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.39
POLB P06746 1/20 0.39
CREBBP Q92793 1/20 0.39
HTR1A P08908 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
SCHEMBL18324722 0.83 SLC6A4 (0.53) HTR2AHTR1FTSHRALDH1A1HTR1B
SCHEMBL8554103 0.78 HTR2C (0.60) HTR2AHTR2CHTR2BHTR1A
SCHEMBL18324679 0.77 KDM4E (0.64) HTR2AHTR2CALDH1A1KDM4EBRD4
SCHEMBL9448905 0.73 HTR2A (0.61) HTR2AHTR2CHTR2B
SCHEMBL24723628 0.72 HTR2A (0.53) HTR2AHTR2CHTR2B
SCHEMBL18324793 0.71 TDO2 (0.65) HTR2ACCNT1CDK9HTR1A
SCHEMBL18324804 0.71 TDO2 (0.41) HTR2AHTR1FCCNT1CDK9HTR1B
SCHEMBL18324762 0.71 OPRM1 (0.58) HTR2AHTR1FHTR1BHTR1DHTR1A
SCHEMBL18324820 0.71 OPRM1 (0.59) HTR1FHTR1BHTR1DHTR1A
SCHEMBL18324890 0.71 DRD2 (0.63) HTR2AHTR2CHTR1A

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-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 US disclosed
US-20160367564-A1 Pharmaceutical Compound IOMET PHARMA LTD. (GB) 2016-12-22 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-20160367564-A1 Pharmaceutical Compound TDO2, IDO1, IDO2 HTR2A 511/4885HTR2C 133/4885HTR2B 187/4885

“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.