SCHEMBL803818

SCHEMBL803818

CC[C@@H]1CCc2ccc3c(c21)CCO3

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.62
MTNR1B P49286 11/20 0.62
ABCB11 O95342 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
USP2 O75604 1/20 0.62
HTR2C P28335 9/20 0.41
HTR2A P28223 7/20 0.41
HTR2B P41595 5/20 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
Ammonia Solution, Strong SCHEMBL28396882 0.98 MTNR1A (0.60) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL12056685 0.88 MTNR1A (0.67) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL23944988 0.84 MTNR1B (0.61) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL23944947 0.84 MTNR1B (0.61) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL340076 0.82 MTNR1A (0.62) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL30892245 0.82 MTNR1A (0.62) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL28357968 0.82 MTNR1A (0.65) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL11917773 0.82 MTNR1A (0.62) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL340075 0.82 MTNR1A (0.62) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL28361707 0.82 MTNR1A (0.65) MTNR1AMTNR1BABCB11SIGMAR1USP2

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-8242291-B2 Process for the preparation of ramelteon INDUSTRIALE CHIMICA S.R.L. (IT) 2012-08-14 US disclosed
US-20120071673-A1 SYNTHESIS OF (S)-N-[2-(1,6,7,8-TETRAHYDRO-2H-INDENO-[5,4-B]FURAN-8-YL)ETHYL]PROPIONAMIDE LEK PHARMACEUTICALS D.D. (SI) 2012-03-22 US disclosed
WO-2009106966-A1 PROCESS FOR PREPARING RAMELTEON. MEDICHEM, S.A. (ES) 2009-09-03 WO disclosed
WO-2008151170-A2 PROCESS FOR THE SYNTHESIS OF RAMELTEON AND ITS INTERMEDIATES TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-12-11 WO 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-20120071673-A1 SYNTHESIS OF (S)-N-[2-(1,6,7,8-TETRAHYDRO-2H-INDENO-[5,4-B]FURAN-8-YL)ETHYL]PROPIONAMIDE CYP2B6, CYP2D6, CYP2A6 MTNR1A 1049/4885MTNR1B 790/4885ABCB11 3514/4885

“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.