SCHEMBL3274584

SCHEMBL3274584

O=C(Nc1cnccn1)N1CCN(c2cccc(-c3cccc(F)c3F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.51
USP2 O75604 3/20 0.43
CYP1A2 P05177 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
CYP2C19 P33261 2/20 0.43
RPS6KA3 P51812 2/20 0.43
KARS1 Q15046 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
BDKRB1 P46663 1/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
HCRTR1 O43613 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL3272253 0.88 FAAH (0.62) FAAHSMN1; SMN2RPS6KA3KARS1TRPV1
SCHEMBL3275452 0.85 TRPV1 (0.52) FAAHUSP2CYP1A2MAPK1CYP2C19
SCHEMBL3269311 0.83 FAAH (0.65) FAAHUSP2CYP1A2MAPK1CYP2C19
SCHEMBL3274880 0.81 FAAH (0.57) FAAHMAPK1TRPV1GSK3BALDH1A1
SCHEMBL3269282 0.81 POLB (0.60) FAAHUSP2CYP1A2SMN1; SMN2MAPK1
SCHEMBL3267735 0.79 CSNK1D (0.47) FAAHUSP2CYP1A2SMN1; SMN2MAPK1
SCHEMBL3274874 0.76 DGAT1 (0.45) FAAHUSP2CYP1A2SMN1; SMN2MAPK1
SCHEMBL3269574 0.76 DGAT1 (0.44) FAAHUSP2CYP1A2SMN1; SMN2MAPK1
SCHEMBL3268499 0.74 FAAH (0.54) FAAHTRPV1MAPTALDH1A1
SCHEMBL3269596 0.73 FAAH (0.61) FAAHUSP2CYP1A2MAPK1CYP2C19

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-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
US-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
US-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
EP-2199282-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-23 EP disclosed
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 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 (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-20100234389-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885USP2 793/4885CYP1A2 728/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885USP2 793/4885CYP1A2 728/4885

“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.