SCHEMBL15840489

SCHEMBL15840489

O=C(CCC(F)(F)F)N1CCC(c2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
ADAMTS5 Q9UNA0 2/20 0.54

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
SCHEMBL15840488 0.92 ALDH1A1 (0.52) NPC1ALDH1A1POLBADAMTS5
SCHEMBL17208442 0.89 ALDH1A1 (0.52) NPC1ALDH1A1POLBADAMTS5
SCHEMBL15840440 0.87 EPHX2 (0.48)
SCHEMBL15840481 0.87 EPHX2 (0.48)
SCHEMBL15840476 0.86 MCHR1 (0.54)
SCHEMBL15840441 0.86 NAMPT (0.50)
SCHEMBL15840446 0.86 EPHX2 (0.62)
SCHEMBL15840447 0.86 NPC1 (0.49) NPC1
SCHEMBL15840444 0.85 ADAMTS5 (0.57) NPC1ADAMTS5
SCHEMBL15840453 0.84 ADAMTS5 (0.56) ADAMTS5

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 NPC1 40/4885ALDH1A1 3861/4885POLB 586/4885

“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.