SCHEMBL424502

SCHEMBL424502

O=C(N1CCN(c2ccccc2)CC1)n1cnc(Cc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.54
MGLL Q99685 3/20 0.54
AKR1C3 P42330 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRM5 P41594 1/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 5/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL425498 0.78 FAAH (0.58) FAAHMGLLAKR1C3CYP2C9CYP2C19
SCHEMBL27792690 0.72 AKR1C3 (0.82) FAAHMGLLAKR1C3CYP2C9CYP2C19
SCHEMBL427654 0.72 LMNA (0.53) FAAHMGLLAKR1C3CYP2C9CYP2C19
SCHEMBL425698 0.71 FAAH (0.50) FAAHMGLLAKR1C3CYP2C9CYP2C19
SCHEMBL427358 0.69 DGAT1 (0.50) AKR1C3CYP2C9CYP2C19MAPTLMNA
SCHEMBL19468081 0.68 NR1H2 (0.35) MAPTSMN1; SMN2ALDH1A1TSHR
SCHEMBL426884 0.68 PARP10 (0.56) FAAHMGLLAKR1C3CYP2C9CYP2C19
SCHEMBL427661 0.68 SMN1; SMN2 (0.46) MGLLSMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL6706289 0.68 ME2 (0.82) MAPTNPC1RAB9ASMN1; SMN2GRM5
SCHEMBL424464 0.68 ALDH1A1 (0.51) FAAHMGLLSMN1; SMN2LMNAALDH1A1

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 FAAH 1/4885MGLL 11/4885AKR1C3 433/4885

“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.