SCHEMBL2423319

SCHEMBL2423319

Cc1cc([N+]2(N3CCCC3C)CCCC2)ccc1NC(=O)[C@@H]1CCCO1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
LMNA P02545 2/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 1/20 0.56
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 2/20 0.43
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41

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 SCHEMBL2421558 0.94 KDM4E (0.52) KDM4ELMNAHPGDHTTCYP3A4
SCHEMBL223649 0.85 KCNH2 (0.46) HTTALDH1A1MAPTKMT2A
SCHEMBL223654 0.84 KMT2A (0.46) ALDH1A1SMN1; SMN2KMT2A
Cyclohexane SCHEMBL2428515 0.83 HRH3 (0.40) CYP3A4
SCHEMBL220849 0.83 HRH3 (0.38) KDM4ELMNAHPGDHTTCYP3A4
SCHEMBL2428638 0.80 HRH3 (0.38) CYP3A4MAPTPOLB
Trifluoroacetic Acid SCHEMBL444415 0.79 KCNH2 (0.41) HTTALDH1A1MAPTKMT2A
SCHEMBL254047 0.79 NPC1 (0.48) KDM4EHPGDHTTMAPK1ALDH1A1
Trifluoroacetic Acid SCHEMBL223098 0.78 KMT2A (0.41) ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL222631 0.78 RAB9A (0.47) KDM4ECYP3A4ALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KDM4E 1155/4885LMNA 3317/4885HPGD 1406/4885

“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.