SCHEMBL428071

SCHEMBL428071

CC1(C)COCN1C(=O)n1cnc(-c2cccc(OCCN3CCCCC3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.47
LTA4H P09960 1/20 0.46
AVPR1B P47901 2/20 0.46
HRH3 Q9Y5N1 5/20 0.44
KDM4E B2RXH2 4/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAP4K4 O95819 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ESR1 P03372 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL426083 0.95 KDM4E (0.47) BACE1KDM4EADORA2AADORA1ALDH1A1
SCHEMBL426082 0.92 KDM4E (0.45) BACE1LTA4HAVPR1BHRH3KDM4E
SCHEMBL424719 0.90 KDM4E (0.44) AVPR1BHRH3KDM4EALDH1A1TSHR
SCHEMBL426017 0.85 GAA (0.47) HRH3KDM4EGAAALDH1A1SMN1; SMN2
SCHEMBL427956 0.84 TP53 (0.39) BACE1KDM4EGAAADORA1ALDH1A1
SCHEMBL427193 0.82 KDM4E (0.43) LTA4HHRH3KDM4EGAAALDH1A1
SCHEMBL424813 0.79 CNR2 (0.41)
SCHEMBL427485 0.79 FAAH (0.38) KDM4EPOLBGAAALDH1A1SMN1; SMN2
SCHEMBL427643 0.79 HSD17B1 (0.37) KDM4EGAAALDH1A1SMN1; SMN2TP53
SCHEMBL425743 0.79 FAAH (0.43) KDM4EPOLBGAAALDH1A1SMN1; SMN2

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 4 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

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 BACE1 480/4885LTA4H 7/4885AVPR1B 1145/4885

“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.