SCHEMBL13799412

SCHEMBL13799412

CC1CCc2ccc(Cl)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.46
HTR2C P28335 5/20 0.46
HTR2B P41595 5/20 0.46
PNMT P11086 1/20 0.43
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRB1 P08588 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CNR1 P21554 1/20 0.41
SLC6A2 P23975 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
DRD4 P21917 1/20 0.41
SRD5A1 P18405 11/20 0.41
SRD5A2 P31213 2/20 0.41

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
SCHEMBL14525564 0.92 HTR2A (0.46) HTR2AHTR2CHTR2BPNMTDRD2
SCHEMBL14346890 0.84 SLC6A4 (0.47) HTR2AHTR2CHTR2BPNMTSLC6A4
SCHEMBL24242574 0.84 SLC6A4 (0.47) HTR2AHTR2CHTR2BPNMTSLC6A4
SCHEMBL10247281 0.81 DRD3 (0.62) DRD2DRD3HTR1ADRD4
SCHEMBL10247150 0.81 DRD3 (0.62) DRD2DRD3HTR1ADRD4
SCHEMBL597666 0.78 SRD5A1 (0.42) HTR2AHTR2CHTR2BDRD2DRD3
SCHEMBL14525576 0.78 HTR2C (0.38) HTR2AHTR2CHTR2BPNMTSLC6A4
SCHEMBL14741406 0.78 SRD5A1 (0.41) HTR2AHTR2CHTR2BSRD5A1SRD5A2
SCHEMBL16233582 0.77 HTR1D (0.46) HTR2AHTR2CHTR2BDRD2DRD3
SCHEMBL16233587 0.77 PNMT (0.47) HTR2AHTR2CHTR2BPNMTDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160219879-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2016-08-04 US disclosed
US-9326513-B2 Fungicidal compositions SYNGENTA PARTICIPATIONS AG (CH) 2016-05-03 US disclosed
US-20140335201-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2014-11-13 US disclosed
US-8623407-B2 Gabapentin-containing solid compositions and process for preparing the same PFIZER INC. (US) 2014-01-07 US disclosed
US-8623407-B2 Gabapentin-containing solid compositions and process for preparing the same PFIZER INC. (US) 2014-01-07 US disclosed
US-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same PFIZER INC 2009-06-18 US disclosed
US-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same PFIZER INC 2009-06-18 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 (3 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-20090156677-A1 Gabapentin-containing Solid Compositions and Process for Preparing the Same GABRD, GABRA6, GABRB1 HTR2A 1444/4885HTR2C 1326/4885HTR2B 1129/4885
US-20140335201-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT HTR2A 3428/4885HTR2C 2732/4885HTR2B 1485/4885
US-20160219879-A1 FUNGICIDAL COMPOSITIONS CYP1B1, CYP4B1, DDT HTR2A 3428/4885HTR2C 2732/4885HTR2B 1485/4885

“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.