SCHEMBL427640

SCHEMBL427640

CN(C)C(=O)n1cnc(-c2ccc(N3CCN(c4ccccc4)CC3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
SLC6A7 Q99884 1/20 0.43
DGAT1 O75907 5/20 0.42
MGLL Q99685 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
APOBEC3A P31941 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
LIPE Q05469 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL2179538 0.85 BCHE (0.48) KMT2AMEN1MGLLBCHEACHE
SCHEMBL425498 0.78 FAAH (0.58) KMT2AMEN1POLBSLC6A7MGLL
SCHEMBL11048879 0.72 HRH3 (0.59) KMT2AMEN1POLBSLC6A7NPC1
SCHEMBL427358 0.72 DGAT1 (0.50) DGAT1
SCHEMBL427271 0.71 LIPE (0.58) KMT2AMGLLRAB9AACHELIPE
SCHEMBL7899150 0.71 DGAT1 (0.49) DGAT1
SCHEMBL426884 0.70 PARP10 (0.56) KMT2AMEN1POLBSLC6A7MGLL
SCHEMBL426879 0.70 PARP10 (0.47) KMT2AMGLL
SCHEMBL424644 0.70 TRPV1 (0.51) KMT2AMEN1POLBMGLLNPC1
SCHEMBL425711 0.70 AKR1C3 (0.49) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 KMT2A 2067/4885MEN1 2893/4885POLB 2792/4885

“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.