SCHEMBL3211231

SCHEMBL3211231

COc1ccc(NC(=O)[C@H]2CC[C@H](N(C(=O)O)C(C)(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.53
MTNR1B P49286 3/20 0.53
HTT P42858 2/20 0.52
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.48
GLA P06280 2/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL3211240 1.00 MTNR1A (0.53) MTNR1AMTNR1BHTTACHEBACE1
SCHEMBL8324607 0.83 MTNR1A (0.71) MTNR1AMTNR1BHTTACHEBACE1
SCHEMBL30518933 0.77 MTNR1A (0.64) MTNR1AMTNR1BHTTACHEBACE1
SCHEMBL5205624 0.77 NPC1 (0.69) MTNR1AMTNR1BHTTACHEBACE1
SCHEMBL3197669 0.76 MTNR1A (0.63) MTNR1AMTNR1BHTTACHEBACE1
SCHEMBL3197659 0.76 MTNR1A (0.63) MTNR1AMTNR1BHTTACHEBACE1
SCHEMBL3188745 0.76 ENPP3 (0.69) MTNR1AMTNR1BHTTNPC1RAB9A
SCHEMBL3210874 0.76 MTNR1A (0.59) MTNR1AMTNR1BHTTACHEBACE1
SCHEMBL3210865 0.76 MTNR1A (0.59) MTNR1AMTNR1BHTTACHEBACE1
SCHEMBL3995294 0.73 ENPP3 (0.59) HTTNPC1RAB9A

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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 MTNR1A 209/4885MTNR1B 154/4885HTT 900/4885

“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.