SCHEMBL4317050

SCHEMBL4317050

CCCN(CCC)C(=O)Cc1cc(C(=O)c2ccccc2)cc2ccc(OC)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.59
MTNR1B P49286 4/20 0.43
NQO2 P16083 1/20 0.43
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR2A P28223 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PGR P06401 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
SLC6A2 P23975 1/20 0.40
PDE4A P27815 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4307584 0.94 MTNR1A (0.57) MTNR1AMTNR1BNQO2POLBRAB9A
SCHEMBL4307719 0.91 MTNR1A (0.52) MTNR1AMTNR1BNQO2MAPTLMNA
SCHEMBL3917768 0.90 MTNR1A (0.55) MTNR1AMTNR1BNQO2POLBRAB9A
SCHEMBL4306629 0.89 MTNR1A (0.56) MTNR1AMTNR1BNQO2MAPTPOLB
SCHEMBL4321154 0.87 MTNR1A (0.59) MTNR1AMTNR1BNQO2MAPTPOLB
SCHEMBL4314615 0.86 MTNR1A (0.53) MTNR1AMTNR1BNQO2POLBRAB9A
SCHEMBL3922660 0.86 MTNR1A (0.53) MTNR1AMTNR1BNQO2POLBRAB9A
SCHEMBL3913720 0.84 MTNR1A (0.68) MTNR1AMTNR1BNQO2RAB9AKMT2A
SCHEMBL13612551 0.84 MTNR1A (0.62) MTNR1AMTNR1BNQO2MAPTRAB9A
SCHEMBL4318446 0.80 CYP1A2 (0.47) MTNR1AMTNR1BNQO2POLBRAB9A

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-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 US claimed
US-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 US disclosed
US-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 US disclosed
US-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-11-12 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-20090281154-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN1, KCNN3, KCNN2 MTNR1A 357/4885MTNR1B 345/4885NQO2 836/4885

“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.