SCHEMBL2427263

SCHEMBL2427263

CC1CCCN1C1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2)C1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.71
NPC1 O15118 2/20 0.62
TP53 P04637 2/20 0.62
RAB9A P51151 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPT P10636 1/20 0.62
TSHR P16473 1/20 0.62
KCNH2 Q12809 4/20 0.58
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
PKM P14618 1/20 0.52

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
Trifluoroacetic Acid SCHEMBL2423337 0.95 HRH3 (0.65) HRH3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL2418500 0.88 HRH3 (0.68) HRH3KCNH2
SCHEMBL13240761 0.88 HRH3 (0.65) HRH3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL2420290 0.87 HRH3 (0.64) HRH3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL2419698 0.87 HRH3 (0.77) HRH3SMN1; SMN2KCNH2
SCHEMBL2425381 0.87 HRH3 (0.77) HRH3SMN1; SMN2KCNH2
SCHEMBL2420000 0.87 HRH3 (0.69) HRH3RAB9ASMN1; SMN2MAPTKCNH2
SCHEMBL2420174 0.87 HRH3 (0.69) HRH3NPC1TP53RAB9ASMN1; SMN2
SCHEMBL2424053 0.85 HRH3 (0.61) HRH3KCNH2
Trifluoroacetic Acid SCHEMBL2423022 0.85 HRH3 (0.64) HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618159-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2013-12-31 US disclosed
EP-2212282-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP disclosed
EP-2212282-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP disclosed
US-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
US-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
US-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 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-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 HRH3 1/4885NPC1 1047/4885TP53 4059/4885

“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.