SCHEMBL15840452

SCHEMBL15840452

O=C(CCC(F)(F)F)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.67
TACR3 P29371 1/20 0.59
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
MAPK14 Q16539 2/20 0.58
HTR2B P41595 1/20 0.58
ALDH1A1 P00352 1/20 0.57
RAB9A P51151 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
MGLL Q99685 1/20 0.56
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
FAAH O00519 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 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
SCHEMBL17208440 0.90 NPC1 (0.58) NPC1TACR3CYP2C9CYP2C19MAPK14
Carbamic Acid SCHEMBL27008248 0.83 ALDH1A1 (0.57) NPC1TACR3CYP2C9CYP2C19MAPK14
SCHEMBL18435561 0.83 POLB (0.71) NPC1TACR3ALDH1A1RAB9AMEN1
SCHEMBL23682656 0.83 TACR3 (0.83) TACR3ALDH1A1RAB9AMEN1KMT2A
SCHEMBL15840489 0.81 NPC1 (0.57) NPC1ALDH1A1POLB
SCHEMBL4768006 0.80 CYP2C9 (0.64) TACR3CYP2C9CYP2C19MAPK14HTR2B
SCHEMBL19233533 0.80 MEN1 (0.68) TACR3CYP2C9CYP2C19MAPK14HTR2B
SCHEMBL7362106 0.79 ALDH1A1 (0.64) TACR3CYP2C9CYP2C19MAPK14HTR2B
SCHEMBL2243090 0.79 ALDH1A1 (0.64) TACR3CYP2C9CYP2C19MAPK14HTR2B
SCHEMBL6485095 0.79 ALDH1A1 (0.64) TACR3CYP2C9CYP2C19MAPK14HTR2B

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 40/4885TACR3 1662/4885CYP2C9 714/4885

“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.