SCHEMBL3391287

SCHEMBL3391287

Nc1ncccc1C(=O)N[C@H]1CCc2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.53
MTNR1B P49286 4/20 0.53
PRKCI P41743 2/20 0.49
ADORA2A P29274 1/20 0.47
SYK P43405 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NAPRT Q6XQN6 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
RAB9A P51151 1/20 0.43
FAAH O00519 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4D Q08499 1/20 0.42

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
SCHEMBL6523052 1.00 MTNR1A (0.53) MTNR1AMTNR1BPRKCIADORA2ASYK
SCHEMBL3796915 0.93 ALDH1A1 (0.48) MTNR1AMTNR1BPRKCIALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6757015 0.92 ALDH1A1 (0.47) MTNR1AMTNR1BPRKCIALDH1A1KDM4E
SCHEMBL3392158 0.85 MTNR1A (0.57) MTNR1AMTNR1BADORA2ASYKALDH1A1
SCHEMBL3423865 0.85 MTNR1A (0.57) MTNR1AMTNR1BADORA2ASYKALDH1A1
SCHEMBL3392202 0.84 MTNR1A (0.55) MTNR1AMTNR1BPRKCIADORA2ACA1
SCHEMBL3391271 0.84 MTNR1A (0.55) MTNR1AMTNR1BPRKCIADORA2ACA1
SCHEMBL7745858 0.82 ALDH1A1 (0.57) PRKCIALDH1A1KDM4EGAANAPRT
SCHEMBL2456197 0.79 PRKCI (0.45) PRKCIALDH1A1KDM4EGAANAPRT
SCHEMBL3802378 0.78 RAB9A (0.49) MTNR1AMTNR1BALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370530-B1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL SANOFI AVENTIS DEUTSCHLAND (DE) 2010-12-29 EP disclosed
US-6949556-B2 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-27 US disclosed
EP-1370530-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-12-17 EP disclosed
US-20030022935-A1 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-30 US disclosed
WO-2002064565-A1 ACYLATED 1,2,3,4-TETRAHYDRONAPHTHYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 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-20030022935-A1 Acylated 1,2,3,4-tetrahydronaphthyl amines and their use as pharmaceutical agents VEGFA, EDNRA, NR1H2 MTNR1A 604/4885MTNR1B 448/4885PRKCI 3490/4885

“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.