SCHEMBL424650

SCHEMBL424650

CC1(C)OCCN1C(=O)n1cnc(-c2ccc(Cl)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
POLB P06746 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
FAAH O00519 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
MOK Q9UQ07 1/20 0.34
KMT2A Q03164 1/20 0.33
KMO O15229 1/20 0.33

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
SCHEMBL7900400 0.89 ALDH1A1 (0.35) KDM4EALDH1A1HPGDPOLBNPC1
SCHEMBL425869 0.88 FAAH (0.43) KDM4EALDH1A1HPGDPOLBNPC1
SCHEMBL427487 0.87 MAP4K4 (0.36) MAP4K4KDM4EALDH1A1HPGDPOLB
SCHEMBL427118 0.79 DPP4 (0.40) MAP4K4KDM4EALDH1A1HPGDPOLB
SCHEMBL427099 0.78 MAP4K4 (0.36) MAP4K4KDM4EALDH1A1HPGDPOLB
SCHEMBL425915 0.76 ALDH1A1 (0.38) MAP4K4KDM4EALDH1A1HPGDFAAH
SCHEMBL11287247 0.75 MAP4K4 (0.50) MAP4K4KDM4EALDH1A1HPGDPOLB
SCHEMBL424572 0.74 MAP4K4 (0.38) MAP4K4KDM4EALDH1A1HPGDNPC1
SCHEMBL425716 0.70 L3MBTL1 (0.42) MAP4K4KDM4EALDH1A1HPGDNPC1
SCHEMBL427535 0.68 CNR2 (0.35) KDM4EALDH1A1HPGDPOLBNPC1

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 MAP4K4 3117/4885KDM4E 1982/4885ALDH1A1 294/4885

“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.