SCHEMBL4309693

SCHEMBL4309693

CCCCN(CCCC)C(=O)Cn1c(=O)c(C(C)(C)C)cc2ccc(OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
CCR9 P51686 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EDNRB P24530 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MTNR1A P48039 3/20 0.38
MTNR1B P49286 3/20 0.38
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL4311922 0.94 MAPT (0.38) MAPTCCR9KDM4ENPC1ALDH1A1
SCHEMBL4320903 0.93 OXER1 (0.39) MAPTCCR9KDM4ENPC1ALDH1A1
SCHEMBL4318320 0.89 MAPT (0.40) MAPTCCR9LMNAMTNR1AMTNR1B
SCHEMBL4323857 0.88 MAPT (0.39) MAPTCCR9LMNAMTNR1AMTNR1B
SCHEMBL4308972 0.87 CCR9 (0.41) MAPTCCR9MTNR1AMTNR1BTP53
SCHEMBL4312933 0.86 MAPT (0.40) MAPTCCR9LMNAMTNR1AMTNR1B
SCHEMBL4311962 0.86 MAPT (0.41) MAPTCCR9MTNR1AMTNR1BTP53
SCHEMBL4315035 0.86 CCR9 (0.39) MAPTCCR9MTNR1AMTNR1BTP53
SCHEMBL4314952 0.86 MAPT (0.42) MAPTCCR9MTNR1AMTNR1BTP53
SCHEMBL4309188 0.85 MAPT (0.39) MAPTCCR9ALDH1A1LMNASMN1; 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US claimed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 MAPT 498/4885CCR9 4698/4885KDM4E 1800/4885

“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.