SCHEMBL986456

SCHEMBL986456

CCOc1ccc2c(c1)CCN(C(C)=O)C2c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.49
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MTNR1B P49286 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL987520 0.93 MEN1 (0.45) EDNRALMNAMAPTNPSR1MEN1
SCHEMBL985355 0.91 TSHR (0.58) MEN1KMT2AMTNR1BTSHRSMN1; SMN2
SCHEMBL987237 0.89 MTNR1B (0.51) MEN1KMT2AMTNR1BTSHRSMN1; SMN2
SCHEMBL4671224 0.87 MTNR1B (0.49) MEN1KMT2AMTNR1BTSHRSMN1; SMN2
SCHEMBL987510 0.84 CA1 (0.48) MTNR1BCA1CA2CA7CA9
SCHEMBL988915 0.84 CA1 (0.48) MTNR1BCA1CA2CA7CA9
SCHEMBL4669537 0.84 SMN1; SMN2 (0.50) LMNANPSR1MEN1KMT2AMTNR1B
SCHEMBL4669565 0.84 TSHR (0.53) LMNAMEN1KMT2AMTNR1BTSHR
SCHEMBL985916 0.82 CA1 (0.47) EDNRALMNAMAPTNPSR1MTNR1B
SCHEMBL988435 0.80 CA1 (0.45) EDNRALMNAMAPTNPSR1KMT2A

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-7875631-B2 e.g.1-(3,5-dichlorophenyl)-2-formyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline; to prevent and/or treat cancer and other abnormal cell growth, and metabolic as well as blood vessel proliferate disorders, in which uncontrolled expression of insulin-like growth factor-1 receptor is observed ANALYTECON S.A. (CH) 2011-01-25 US claimed
EP-1732898-B1 TETRAHYDROISOQUINOLINE- AND TETRAHYDROBENZAZEPINE DERIVATIVES AS IGF-1R INHIBITORS ANALYTECON SA (CH) 2008-01-23 EP claimed
US-20070129399-A1 Tetrahydroisoquinoline-and tetrahydrobenzazepine derivatives as igf-1r inhibitors ANALYTECON S.A. (CH) 2007-06-07 US claimed
EP-1732898-B1 TETRAHYDROISOQUINOLINE- AND TETRAHYDROBENZAZEPINE DERIVATIVES AS IGF-1R INHIBITORS ANALYTECON SA (CH) 2008-01-23 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-20070129399-A1 Tetrahydroisoquinoline-and tetrahydrobenzazepine derivatives as igf-1r inhibitors IGF1R, INSR, GPR119 EDNRA 200/4885LMNA 4225/4885MAPT 4350/4885

“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.