SCHEMBL427450

SCHEMBL427450

CN(Cc1ccccc1)C(=O)n1cnc(-c2ccc3ccccc3c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.48
MGLL Q99685 1/20 0.48
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.45
LIPE Q05469 1/20 0.45
APOBEC3A P31941 1/20 0.43
ERN1 O75460 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PDK1 Q15118 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CNR1 P21554 1/20 0.39
OPRM1 P35372 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL427653 0.80 PARP10 (0.44) MGLLACHEAPOBEC3AMEN1KMT2A
SCHEMBL425651 0.80 APOBEC3A (0.43) APOBEC3AMEN1KMT2ANPC1RAB9A
SCHEMBL426863 0.76 HDAC1 (0.44) APOBEC3AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2179538 0.70 BCHE (0.48) TRPV1MGLLACHEBCHELIPE
SCHEMBL17753657 0.69 FAAH (0.49) TRPV1MGLLHPGD
SCHEMBL424347 0.66 LIPE (0.56) MGLLACHEBCHELIPEKMT2A
SCHEMBL425585 0.66 FAAH (0.57) APOBEC3AMEN1KMT2ANPC1RAB9A
SCHEMBL427271 0.65 LIPE (0.58) MGLLACHELIPEKMT2ASMN1; SMN2
SCHEMBL24937837 0.65 NPC1 (0.49) LIPEAPOBEC3AMEN1KMT2ASMN1; SMN2
SCHEMBL427640 0.64 KMT2A (0.43) MGLLACHEBCHELIPEAPOBEC3A

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 7 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-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
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 TRPV1 165/4885MGLL 11/4885ACHE 167/4885

“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.