SCHEMBL15840451

SCHEMBL15840451

COc1cccc(C2CCN(C(=O)CCC(F)(F)F)CC2)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.52
DRD2 P14416 1/20 0.52
USP30 Q70CQ3 1/20 0.50
HTR2C P28335 2/20 0.49
CCR2 P41597 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
NPC1 O15118 1/20 0.46
ADAM17 P78536 1/20 0.46

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
SCHEMBL17208431 0.92 CHRM4 (0.52) CHRM4DRD2USP30HTR2CCCR2
SCHEMBL15840435 0.86 ALDH1A1 (0.53) CHRM4DRD2ALDH1A1LMNARAB9A
SCHEMBL15840442 0.85 NPC1 (0.48) KMT2AALDH1A1LMNARAB9ANPC1
SCHEMBL15840444 0.83 ADAMTS5 (0.57) CHRM4NPC1
SCHEMBL30305344 0.83 ADAM17 (0.45) ADAM17
SCHEMBL20744367 0.83 ADAM17 (0.45) ADAM17
SCHEMBL15840485 0.82 DRD2 (0.54) CHRM4DRD2HTR2CKMT2A
SCHEMBL15840453 0.82 ADAMTS5 (0.56)
SCHEMBL27382202 0.82 DRD2 (0.57) CHRM4DRD2USP30HTR2CCCR2
Hydrochloric Acid SCHEMBL11816492 0.82 DRD2 (0.61) CHRM4DRD2USP30HTR2CCCR2

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 CHRM4 1668/4885DRD2 1356/4885USP30 4452/4885

“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.