SCHEMBL424359

SCHEMBL424359

O=C(N1CCOCC1)n1cc(-c2ccccc2)nn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
RAB9A P51151 3/20 0.51
HSD17B10 Q99714 1/20 0.51
DAGLB Q8NCG7 1/20 0.51
DAGLA Q9Y4D2 9/20 0.50
ABHD6 Q9BV23 8/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
AKR1C3 P42330 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.47
ACACB O00763 1/20 0.46
ACACA Q13085 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL27824322 0.82 DAGLA (0.54) DAGLBDAGLAABHD6
SCHEMBL427431 0.79 ALDH1A1 (0.52) ALDH1A1RAB9AHSD17B10CYP2C9CYP2C19
SCHEMBL426612 0.75 ALDH1A1 (0.51) ALDH1A1RAB9AHSD17B10CYP2C9CYP2C19
SCHEMBL427298 0.72 TSHR (0.51) ALDH1A1RAB9AHSD17B10CYP2C9CYP2C19
SCHEMBL31023931 0.71 ALDH1A1 (0.40) ALDH1A1DAGLAABHD6
Biphenyl SCHEMBL27551921 0.70 RAB9A (0.63) ALDH1A1RAB9AHSD17B10CYP2C9CYP2C19
SCHEMBL28290881 0.70 DAGLA (0.47) DAGLAABHD6
SCHEMBL28135749 0.69 DAGLA (0.52) RAB9ADAGLAABHD6TSHRLMNA
SCHEMBL424684 0.68 ALDH1A1 (0.45) ALDH1A1RAB9AHSD17B10CYP2C9CYP2C19
SCHEMBL427188 0.67 HTT (0.50) ALDH1A1RAB9AHSD17B10CYP2C9CYP2C19

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 ALDH1A1 294/4885RAB9A 2266/4885HSD17B10 268/4885

“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.