SCHEMBL15840486

SCHEMBL15840486

O=C(CCC(F)(F)F)N1CCN(c2ccc(F)cc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.56
DPP4 P27487 1/20 0.54
DPP9 Q86TI2 1/20 0.54
MAPT P10636 6/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 4/20 0.52
LMNA P02545 3/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 6/20 0.51
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 3/20 0.46
NPC1 O15118 2/20 0.45

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
SCHEMBL17208419 0.90 DPP4 (0.55) GRM5DPP4DPP9MAPTKMT2A
SCHEMBL1903391 0.82 GRM5 (0.65) GRM5DPP4DPP9MAPTKMT2A
SCHEMBL19002659 0.81 KMT2A (0.61) GRM5DPP4DPP9MAPTKMT2A
SCHEMBL15840475 0.81 POLB (0.67) MAPTKMT2AMEN1LMNAALDH1A1
SCHEMBL30690908 0.80 GRM5 (0.54) GRM5DPP4DPP9MAPTKMT2A
SCHEMBL3796463 0.80 KMT2A (0.77) GRM5MAPTKMT2AMEN1LMNA
SCHEMBL632171 0.77 GRM5 (0.59) GRM5DPP4DPP9MAPTKMT2A
SCHEMBL8236035 0.76 GRM5 (0.68) GRM5DPP4DPP9MAPTKMT2A
SCHEMBL30965825 0.76 DPP4 (0.55) GRM5DPP4DPP9MAPTKMT2A
SCHEMBL18711276 0.76 TP53 (0.56) GRM5DPP4DPP9MAPTKMT2A

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 GRM5 3943/4885DPP4 2874/4885DPP9 2595/4885

“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.