SCHEMBL15840446

SCHEMBL15840446

O=C(CCC(F)(F)F)N1CCC(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.62
CHRM2 P08172 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
CNR1 P21554 1/20 0.48
P2RY14 Q15391 1/20 0.48

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
SCHEMBL17208430 0.90 EPHX2 (0.51) EPHX2CHRM2CHRM5CHRM1CHRM3
SCHEMBL15840440 0.88 EPHX2 (0.48) EPHX2
SCHEMBL15840481 0.88 EPHX2 (0.48) EPHX2
SCHEMBL15840447 0.86 NPC1 (0.49) EPHX2
SCHEMBL15840441 0.86 NAMPT (0.50)
SCHEMBL15840476 0.86 MCHR1 (0.54)
SCHEMBL22059969 0.86 EPHX2 (0.52) EPHX2CNR1
SCHEMBL15840489 0.86 NPC1 (0.57)
SCHEMBL15840485 0.85 DRD2 (0.54) EPHX2
SCHEMBL20744371 0.84 EPHX2 (0.51) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957249-B2 Saturated nitrogen and N-acylated heterocycles potentiating the activity of an active antibiotic against Mycobacteria UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2018-05-01 US disclosed
US-9957249-B2 Saturated nitrogen and N-acylated heterocycles potentiating the activity of an active antibiotic against Mycobacteria UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2018-05-01 US disclosed
US-20150307471-A1 Saturated Nitrogen and N-Acylated Heterocycles Potentiating the Activity of an Active Antibiotic against Mycobacteria UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2015-10-29 US disclosed
US-20150307471-A1 Saturated Nitrogen and N-Acylated Heterocycles Potentiating the Activity of an Active Antibiotic against Mycobacteria UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2015-10-29 US disclosed
WO-2014096378-A1 SATURATED NITROGEN AND N-ACYLATED HETEROCYCLES POTENTIATING THE ACTIVITY OF AN ACTIVE ANTIBIOTIC AGAINST MYCOBACTERIA UNIVERSITE DE DROIT ET DE LA SANTE DE LILLE 2 (FR) 2014-06-26 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-20150307471-A1 Saturated Nitrogen and N-Acylated Heterocycles Potentiating the Activity of an Active Antibiotic against Mycobacteria NAT1, NAA15, FNTB EPHX2 4354/4885CHRM2 1192/4885CHRM5 973/4885

“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.