SCHEMBL254047

SCHEMBL254047

Cc1cc([N+]2(N3CCCC3C)CCCC2)ccc1NC(=O)[C@H]1CC2CC[C@H]1C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
KCNQ4 P56696 1/20 0.45
KCNQ5 Q9NR82 1/20 0.45
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTT P42858 2/20 0.35
ACKR3 P25106 1/20 0.35

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 SCHEMBL219824 0.94 NPC1 (0.43) NPC1RAB9AKCNQ3KCNQ2KCNQ4
SCHEMBL2432577 0.84 NPC1 (0.35) NPC1RAB9AALDH1A1KCNH2HRH3
SCHEMBL223649 0.83 KCNH2 (0.46) RAB9ATSHRKMT2AALDH1A1MAPT
SCHEMBL223654 0.82 KMT2A (0.46) RAB9AKMT2AALDH1A1KCNH2HRH3
Cyclohexane SCHEMBL2428515 0.82 HRH3 (0.40) NPC1RAB9AKCNH2HRH3
SCHEMBL220849 0.81 HRH3 (0.38) RAB9AKMT2AALDH1A1HPGDKCNH2
SCHEMBL2423319 0.79 KDM4E (0.56) HSD17B10KMT2AALDH1A1HPGDMAPT
SCHEMBL2428638 0.78 HRH3 (0.38) NPC1RAB9AMAPTKCNH2HRH3
Trifluoroacetic Acid SCHEMBL444415 0.77 KCNH2 (0.41) RAB9ATSHRKMT2AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL223098 0.77 KMT2A (0.41) RAB9AKMT2AALDH1A1MAPTKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065234-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-15 US claimed
US-8088808-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2012-01-03 US claimed
EP-2212283-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP claimed
US-20120065234-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-15 US disclosed
US-8088808-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2012-01-03 US disclosed
EP-2212283-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP 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-20120065234-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 NPC1 1047/4885RAB9A 3245/4885KCNQ3 1637/4885

“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.