SCHEMBL15840485

SCHEMBL15840485

O=C(CCC(F)(F)F)N1CCC(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
CHRM4 P08173 1/20 0.53
HTR2C P28335 2/20 0.52
EPHX2 P34913 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
USP5 P45974 1/20 0.47

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
SCHEMBL17208434 0.91 DRD2 (0.55) DRD2CHRM4HTR2CEPHX2MEN1
SCHEMBL20743042 0.88 MEN1 (0.49) DRD2CHRM4HTR2CEPHX2MEN1
SCHEMBL15840444 0.86 ADAMTS5 (0.57) CHRM4
SCHEMBL15840453 0.85 ADAMTS5 (0.56)
SCHEMBL15840442 0.85 NPC1 (0.48) KMT2A
SCHEMBL4813515 0.85 CHRM4 (0.58) DRD2CHRM4HTR2CEPHX2MEN1
SCHEMBL15840446 0.85 EPHX2 (0.62) EPHX2
SCHEMBL15840489 0.84 NPC1 (0.57)
SCHEMBL15840451 0.82 CHRM4 (0.52) DRD2CHRM4HTR2CKMT2A
SCHEMBL20744371 0.82 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 DRD2 1356/4885CHRM4 1668/4885HTR2C 3022/4885

“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.