SCHEMBL3316638

SCHEMBL3316638

O=C(O)N1CC(NC2Cc3ccccc3C2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 3/20 0.43
HRH3 Q9Y5N1 3/20 0.42
MTNR1A P48039 6/20 0.41
MTNR1B P49286 6/20 0.41
MAPT P10636 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GRIN2B Q13224 1/20 0.38
FABP5 Q01469 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 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
SCHEMBL3320680 0.89 MTNR1A (0.54) HRH3MTNR1AMTNR1BCA1CA2
SCHEMBL6589968 0.77 CA1 (0.52) GRM7MTNR1AMTNR1BMAPTCA1
SCHEMBL3315944 0.76 TAS1R3 (0.36) GRM7HRH3MTNR1AMTNR1B
SCHEMBL3316278 0.75 MAOA (0.49) CA1CA2
SCHEMBL3313789 0.74 FAAH (0.46) GRM7LMNARAB9A
SCHEMBL3317018 0.74 HTR1D (0.52) MTNR1AMTNR1BCA1CA2
SCHEMBL3320952 0.73 HTT (0.56) LMNA
SCHEMBL19280183 0.73 THRB (0.34)
SCHEMBL4696472 0.71 ALDH1A1 (0.49) HRH3GRIN2BLMNA
SCHEMBL433595 0.71 GRIN2B (0.52) MTNR1AMTNR1BCA1CA2GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 GRM7 487/4885HRH3 360/4885MTNR1A 42/4885

“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.