SCHEMBL3273318

SCHEMBL3273318

O=C(Nc1cccnn1)N1CCN(c2ccnc(-c3ccc(F)cc3F)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 14/20 1.00
TRPV1 Q8NER1 3/20 0.49
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
NAMPT P43490 1/20 0.46
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42

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
SCHEMBL3272018 0.86 FAAH (0.75) FAAHTRPV1
SCHEMBL3272693 0.86 FAAH (1.00) FAAHTRPV1ALDH1A1PKMNAMPT
SCHEMBL3269021 0.86 FAAH (1.00) FAAHALDH1A1PKMNAMPTCSNK1D
SCHEMBL3269000 0.83 FAAH (0.71) FAAHTRPV1ALDH1A1PKMNAMPT
SCHEMBL3267671 0.83 FAAH (1.00) FAAHALDH1A1PKM
SCHEMBL3270497 0.83 FAAH (1.00) FAAHTRPV1ALDH1A1PKMNAMPT
Hydrochloric Acid SCHEMBL3270569 0.83 FAAH (0.70) FAAHTRPV1ALDH1A1PKMNAMPT
SCHEMBL3269595 0.82 FAAH (1.00) FAAHTRPV1ALDH1A1PKMCSNK1D
SCHEMBL3275315 0.81 FAAH (0.68) FAAHTRPV1
SCHEMBL3272217 0.79 FAAH (0.80) FAAHALDH1A1PKMCSNK1DCSNK1E

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 6/4885ALDH1A1 259/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA FAAH 1/4885TRPV1 6/4885ALDH1A1 259/4885

“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.