SCHEMBL3223154

SCHEMBL3223154

CCc1c[nH]c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.55
HTR1A P08908 8/20 0.54
HTR7 P34969 2/20 0.54
HTR6 P50406 2/20 0.54
GPR84 Q9NQS5 1/20 0.53
HTR1B P28222 6/20 0.51
HTR1D P28221 5/20 0.51
HTR2B P41595 1/20 0.50
MTNR1A P48039 1/20 0.49
KDM4E B2RXH2 2/20 0.49
HTR2A P28223 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
HTR2C P28335 1/20 0.48
HTR4 Q13639 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
CRHBP P24387 1/20 0.47

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
SCHEMBL24855664 0.85 TRPV1 (0.49) TRPV1HTR1AHTR7HTR6GPR84
SCHEMBL1196580 0.84 HTR1D (0.53) TRPV1HTR1AHTR7HTR6GPR84
SCHEMBL6510001 0.83 KDM4E (0.69) TRPV1HTR1AHTR1BHTR1DMTNR1A
SCHEMBL2534378 0.82 HTR1A (0.68) HTR1AHTR7HTR6HTR1BHTR1D
SCHEMBL9662031 0.82 CYP2D6 (0.68) TRPV1HTR1AHTR7HTR6HTR1B
SCHEMBL25235565 0.82 HTR1D (0.71) HTR1AHTR7HTR6HTR1BHTR1D
SCHEMBL25284791 0.82 HTR2A (0.71) TRPV1HTR1AHTR1BHTR1DHTR2B
SCHEMBL25234557 0.82 HTR2A (0.65) HTR1AHTR7HTR6HTR1BHTR1D
Hydrochloric Acid SCHEMBL21546053 0.81 NPSR1 (0.68) HTR1AHTR7HTR6HTR1BHTR1D
Hydrochloric Acid SCHEMBL31181453 0.81 NPSR1 (0.68) HTR1AHTR7HTR6HTR1BHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101646656-B Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI AVENTIS SPA 2013-08-14 CN disclosed
US-8258130-B2 Pyrimidine hydrazide compounds as PGDS inhibitors SANOFI (FR) 2012-09-04 US disclosed
US-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2010-02-25 US disclosed
CN-101646656-A Pyrimidine hydrazide compounds as the PGDS inhibitor SANOFI AVENTIS FR 2010-02-10 CN disclosed
EP-2142516-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS Sanofi-Aventis (FR) 2010-01-13 EP disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO 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-20100048568-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, HRH4 TRPV1 347/4885HTR1A 215/4885HTR7 961/4885

“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.