SCHEMBL3269596

SCHEMBL3269596

O=C(Nc1cccnc1)N1CCN(c2cccc(-c3ccc(F)cc3F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.61
TRPV1 Q8NER1 2/20 0.51
CSNK1E P49674 1/20 0.50
PHGDH O43175 1/20 0.48
GLA P06280 1/20 0.48
POLB P06746 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
HCRTR1 O43613 1/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL3268311 0.90 FAAH (0.74) FAAHTRPV1CSNK1EGLAPOLB
Hydrochloric Acid SCHEMBL3272648 0.90 FAAH (0.73) FAAHTRPV1CSNK1EGLAPOLB
SCHEMBL3268951 0.88 GLA (0.63) FAAHGLAPOLBMAPTHTT
SCHEMBL3275452 0.87 TRPV1 (0.52) FAAHTRPV1CSNK1EPHGDHGLA
SCHEMBL3274580 0.86 FAAH (0.71) FAAHTRPV1GLAPOLBMAPT
SCHEMBL3272253 0.86 FAAH (0.62) FAAHTRPV1POLBMAPTALDH1A1
SCHEMBL3269417 0.86 FAAH (0.71) FAAHTRPV1CSNK1EALDH1A1PKM
SCHEMBL3443219 0.84 POLB (0.62) FAAHTRPV1PHGDHGLAPOLB
SCHEMBL3272217 0.83 FAAH (0.80) FAAHCSNK1EMAPTALDH1A1PKM
SCHEMBL3269773 0.82 FAAH (0.71) FAAHTRPV1CSNK1EALDH1A1PKM

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 1/4885TRPV1 6/4885CSNK1E 2623/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885TRPV1 6/4885CSNK1E 2623/4885

“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.