SCHEMBL15840488

SCHEMBL15840488

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

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
ADAMTS5 Q9UNA0 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ESR1 P03372 1/20 0.51
MAPK1 P28482 2/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.49
PARP1 P09874 1/20 0.48
RBP4 P02753 1/20 0.48
NAMPT P43490 1/20 0.47
HTR7 P34969 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
SCHEMBL15840489 0.92 NPC1 (0.57) ALDH1A1POLBADAMTS5NPC1
SCHEMBL17208443 0.90 ADAMTS5 (0.50) ALDH1A1POLBADAMTS5SMN1; SMN2ESR1
SCHEMBL17208442 0.84 ALDH1A1 (0.52) ALDH1A1POLBADAMTS5SMN1; SMN2MAPK1
SCHEMBL15840440 0.82 EPHX2 (0.48)
SCHEMBL8902078 0.81 ALDH1A1 (0.55) ALDH1A1POLBADAMTS5SMN1; SMN2ESR1
SCHEMBL15840481 0.80 EPHX2 (0.48)
SCHEMBL8092824 0.80 SIGMAR1 (0.59) ALDH1A1POLBADAMTS5SMN1; SMN2MAPK1
SCHEMBL8901679 0.80 ALDH1A1 (0.57) ALDH1A1POLBADAMTS5SMN1; SMN2ESR1
SCHEMBL4198757 0.79 NAMPT (0.65) ALDH1A1POLBADAMTS5SMN1; SMN2ESR1
SCHEMBL15840447 0.78 NPC1 (0.49) NPC1

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 ALDH1A1 3861/4885POLB 586/4885ADAMTS5 4736/4885

“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.