SCHEMBL222631

SCHEMBL222631

Cc1cc([N+]2(N3CCC[C@@H]3C)CCCC2)ccc1NC(=O)CC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 3/20 0.47
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
AAK1 Q2M2I8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
P2RX7 Q99572 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAD52 P43351 1/20 0.37
RORC P51449 2/20 0.37
CYP3A4 P08684 1/20 0.37
CCR8 P51685 1/20 0.37
EPHX2 P34913 1/20 0.37
NAMPT P43490 1/20 0.37

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 SCHEMBL222744 0.94 RAB9A (0.41) RAB9ANPC1KMT2AMEN1AAK1
Cyclohexane SCHEMBL2428515 0.85 HRH3 (0.40) RAB9ANPC1HRH3CYP3A4
SCHEMBL223649 0.84 KCNH2 (0.46) RAB9AKMT2AHRH3TDP1ALDH1A1
SCHEMBL223654 0.83 KMT2A (0.46) RAB9AKMT2AHRH3TDP1ALDH1A1
SCHEMBL2428638 0.81 HRH3 (0.38) RAB9ANPC1HRH3MAPTCYP3A4
SCHEMBL220849 0.80 HRH3 (0.38) RAB9AKMT2AHRH3KDM4EALDH1A1
SCHEMBL2421213 0.79 KMT2A (0.44) RAB9ANPC1KMT2AMEN1HRH3
Trifluoroacetic Acid SCHEMBL444415 0.79 KCNH2 (0.41) RAB9AKMT2AHRH3ALDH1A1MAPT
SCHEMBL2423319 0.78 KDM4E (0.56) KMT2AKDM4EALDH1A1MAPTHSD17B10
Trifluoroacetic Acid SCHEMBL223098 0.78 KMT2A (0.41) RAB9AKMT2AHRH3TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252824-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2012-08-28 US claimed
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-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US claimed
US-8252824-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2012-08-28 US disclosed
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
US-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 US 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 (2 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-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 RAB9A 3245/4885NPC1 1047/4885KMT2A 507/4885
US-20120065234-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 RAB9A 3245/4885NPC1 1047/4885KMT2A 507/4885

“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.