SCHEMBL3769883

SCHEMBL3769883

CC(C)N(Cc1ccccc1)C(=O)c1cccn1C

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ATM Q13315 1/20 0.50
PSEN1 P49768 1/20 0.50
PSEN2 P49810 1/20 0.50
APH1B Q8WW43 1/20 0.50
NCSTN Q92542 1/20 0.50
APH1A Q96BI3 1/20 0.50
PSENEN Q9NZ42 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 1/20 0.45
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL3757586 0.83 NPC1 (0.52) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5656197 0.82 APOBEC3A (0.55) MEN1KMT2ANPC1RAB9A
SCHEMBL5188030 0.78 KMT2A (0.51) MEN1KMT2AATMPSEN1PSEN2
SCHEMBL14427596 0.78 MEN1 (0.67) MEN1KMT2AATMPSEN1PSEN2
SCHEMBL1701279 0.77 KMT2A (0.76) MEN1KMT2AATMPSEN1PSEN2
SCHEMBL7772334 0.74 KMT2A (0.71) MEN1KMT2AATMPSEN1PSEN2
SCHEMBL7972682 0.73 KMT2A (0.69) MEN1KMT2AATMPSEN1PSEN2
Carbamic Acid SCHEMBL7116890 0.73 KMT2A (0.69) MEN1KMT2AATMPSEN1PSEN2
SCHEMBL14442982 0.73 KMT2A (0.69) MEN1KMT2AATMPSEN1PSEN2
SCHEMBL13167408 0.73 KMT2A (0.69) MEN1KMT2AATMPSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842812-B2 Substituted 5-aminomethy1-1H-pyrrole-2-carboxylic acid amides GRUENENTHAL GMBH (DE) 2010-11-30 US disclosed
US-20070135494-A1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxylic acid amides GRUENENTHAL GMBH (DE) 2007-06-14 US disclosed
US-7229991-B2 Substituted 5-aminomethyl-1H-pyrrole-2-carboxamides GRUENENTHAL GMBH (DE) 2007-06-12 US disclosed
US-20050288342-A1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxamides GRUENENTHAL GMBH (DE) 2005-12-29 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-20070135494-A1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxylic acid amides AVPR2, GPR119, AVPR1B MEN1 2122/4885KMT2A 1381/4885ATM 2010/4885
US-20050288342-A1 Substituted 5-aminomethyl-1H-pyrrole-2-carboxamides QPCT, PGA5, ALDH18A1 MEN1 2422/4885KMT2A 1319/4885ATM 3817/4885

“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.