SCHEMBL7204668

SCHEMBL7204668

O=C(NCCC1=COc2ccccc2O1)C1CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.67
MTNR1B P49286 4/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 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
SCHEMBL7203743 0.80 MTNR1A (1.00) MTNR1AMTNR1BMEN1KMT2ACYP2C19
SCHEMBL7203724 0.77 MTNR1A (0.72) MTNR1AMEN1KMT2A
SCHEMBL23417495 0.71 CYP2C19 (0.68) MEN1POLBKMT2ACYP2C19
SCHEMBL7199016 0.71 MTNR1A (0.64) MTNR1AMEN1KMT2ACYP2C19
SCHEMBL6075864 0.71 SPR (0.41) MTNR1AMTNR1BPOLBKMT2A
SCHEMBL2475349 0.71 ALDH1A1 (0.61) MTNR1AMTNR1B
SCHEMBL27622596 0.70 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL5071575 0.70 RXFP1 (0.57) MTNR1AMTNR1B
SCHEMBL6555327 0.69 MTNR1A (0.57) MTNR1A
SCHEMBL7272444 0.68 TAAR1 (0.64) MEN1POLBKMT2ACYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 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-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 MTNR1A 1/4885MTNR1B 2/4885MEN1 1888/4885

“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.