SCHEMBL2636348

SCHEMBL2636348

CNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LTA4H P09960 4/20 0.57
SIGMAR1 Q99720 1/20 0.54
ACKR3 P25106 1/20 0.53
TNIK Q9UKE5 1/20 0.51

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
SCHEMBL12803104 0.85 GAA (0.63) LTA4HACKR3
SCHEMBL10153803 0.83 SIGMAR1 (0.54) LTA4HSIGMAR1ACKR3
SCHEMBL4591716 0.83 ALDH1A1 (0.67) KDM4EALDH1A1SIGMAR1TNIK
SCHEMBL24770743 0.82 ALDH1A1 (0.65) KDM4EALDH1A1LTA4HSIGMAR1TNIK
SCHEMBL4592012 0.81 KDM4E (0.63) KDM4EALDH1A1LTA4HSIGMAR1TNIK
SCHEMBL4591633 0.81 SIGMAR1 (0.65) KDM4EALDH1A1SIGMAR1TNIK
SCHEMBL4591727 0.80 KDM4E (0.70) KDM4EALDH1A1LTA4HSIGMAR1ACKR3
SCHEMBL18291379 0.80 KMT2A (0.54) LTA4HACKR3
SCHEMBL16307192 0.78 ACKR3 (0.52) KDM4EALDH1A1LTA4HACKR3
SCHEMBL24771303 0.78 ALDH1A1 (0.61) KDM4EALDH1A1LTA4HSIGMAR1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754095-B2 Substituted N-heterocycloalkyl bipyrrolidinylphenyl amide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-06-17 US disclosed
US-8754095-B2 Substituted N-heterocycloalkyl bipyrrolidinylphenyl amide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-06-17 US disclosed
US-8754095-B2 Substituted N-heterocycloalkyl bipyrrolidinylphenyl amide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2014-06-17 US disclosed
EP-2569297-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-20 EP disclosed
US-20130059891-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-07 US disclosed
US-20130059891-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-07 US disclosed
US-20130059891-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-03-07 US disclosed
WO-2011143161-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 WO disclosed
WO-2011143161-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2011-11-17 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-20130059891-A1 SUBSTITUTED N-HETEROCYCLOALKYL BIPYRROLIDINYLPHENYL AMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF HRH3, HRH4, HRH1 KDM4E 1352/4885ALDH1A1 1436/4885LTA4H 2369/4885

“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.