SCHEMBL425498

SCHEMBL425498

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.58
MGLL Q99685 3/20 0.58
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 2/20 0.52
SLC6A7 Q99884 2/20 0.52
AKR1C3 P42330 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
USP2 O75604 2/20 0.47
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.47
APOBEC3A P31941 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
SCD O00767 1/20 0.45
SCD5 Q86SK9 1/20 0.45

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
SCHEMBL427298 0.85 TSHR (0.51) FAAHMGLLKMT2AAKR1C3CYP2C9
SCHEMBL426884 0.84 PARP10 (0.56) FAAHMGLLMEN1KMT2APOLB
SCHEMBL7890316 0.83 AKR1C3 (0.45) FAAHMGLLMEN1KMT2APOLB
SCHEMBL426876 0.83 POLB (0.44) FAAHMGLLMEN1KMT2APOLB
SCHEMBL427654 0.83 LMNA (0.53) FAAHMGLLMEN1KMT2APOLB
SCHEMBL425698 0.82 FAAH (0.50) FAAHMGLLMEN1KMT2APOLB
SCHEMBL424464 0.81 ALDH1A1 (0.51) FAAHMGLLMEN1KMT2ATSHR
SCHEMBL427029 0.81 PARP10 (0.62) FAAHMGLLMEN1KMT2ASLC6A7
SCHEMBL7903565 0.79 AKR1C3 (0.48) MEN1KMT2APOLBSLC6A7AKR1C3
SCHEMBL427358 0.79 DGAT1 (0.50) AKR1C3CYP2C9CYP2C19USP2LMNA

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 11/4885MEN1 2893/4885

“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.