SCHEMBL3605484

SCHEMBL3605484

CCCCCC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.46
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MAPT P10636 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL3605570 0.84 MTNR1B (0.48) MTNR1BTP53MAPT
SCHEMBL3611801 0.79 MTNR1B (0.44) MTNR1BTP53SMN1; SMN2MAPTALDH1A1
SCHEMBL3609833 0.79 GHSR (0.49) HTTNCOA1SMN1; SMN2NCOA3MAPT
SCHEMBL3612271 0.79 KMT2A (0.36) MTNR1BTP53HTTSMN1; SMN2MAPT
SCHEMBL3617478 0.77 GHSR (0.45) HTTNCOA1SMN1; SMN2NCOA3SIGMAR1
SCHEMBL3615470 0.75 MTNR1B (0.47) MTNR1BSMN1; SMN2MAPTSIGMAR1LMNA
SCHEMBL3617388 0.74 MTNR1B (0.41) MTNR1BTP53MAPT
SCHEMBL3606601 0.72 XIAP (0.42) MTNR1B
SCHEMBL11119714 0.69 MTNR1B (0.56) MTNR1BTP53SMN1; SMN2MAPT
SCHEMBL31011341 0.69 CA1 (0.55) HTTMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP 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-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT MTNR1B 2142/4885TP53 1800/4885HTT 1010/4885

“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.