SCHEMBL2850464

SCHEMBL2850464

FC(F)(F)c1nccc(N2CCNCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.59
CYP1A2 P05177 3/20 0.59
CYP2C9 P11712 1/20 0.59
ADRB1 P08588 3/20 0.59
ADRB2 P07550 2/20 0.52
HRH4 Q9H3N8 7/20 0.51
EPHX2 P34913 1/20 0.48
PLD1 Q13393 1/20 0.47
HSD17B10 Q99714 2/20 0.46
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTR3A P46098 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
NCF1 P14598 2/20 0.45
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL3917783 0.90 HRH4 (0.61) HRH3CYP1A2CYP2C9ADRB1ADRB2
Trifluoroacetic Acid SCHEMBL5038086 0.87 HRH4 (0.58) HRH3CYP1A2CYP2C9ADRB1ADRB2
SCHEMBL4443266 0.86 CYP1A2 (0.46) HRH3CYP1A2CYP2C9ADRB1ADRB2
SCHEMBL20389195 0.85 MALT1 (0.44) HRH3CYP1A2CYP2C9ADRB1HRH4
SCHEMBL11916029 0.84 HRH3 (0.59) HRH3CYP1A2CYP2C9ADRB1ADRB2
SCHEMBL18843028 0.81 HRH3 (0.56) HRH3CYP1A2CYP2C9ADRB1ADRB2
SCHEMBL13135641 0.81 HRH4 (0.59) HRH3CYP1A2HRH4HSD17B10HTR3E
SCHEMBL30328948 0.81 ALDH1A1 (0.48) HRH3CYP1A2CYP2C9ADRB1HRH4
SCHEMBL13131250 0.81 HRH3 (0.53) HRH3CYP1A2CYP2C9ADRB1HRH4
Hydrochloric Acid SCHEMBL30327833 0.80 ALDH1A1 (0.47) HRH3CYP1A2CYP2C9ADRB1HRH4

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
CN-104619702-B Fused cyclopentyl antagonists of CCR2 詹森药业有限公司 2017-09-15 CN disclosed
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
CN-100341862-C Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORP (JP) 2007-10-10 CN disclosed
CN-1606549-A Thiazolidine derivative and medical application thereof MITSUBISHI PHARMA CORP (JP) 2005-04-13 CN disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 EP 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 (2 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 HRH3 4173/4885CYP1A2 1009/4885CYP2C9 433/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 HRH3 4217/4885CYP1A2 748/4885CYP2C9 414/4885

“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.