SCHEMBL985807

SCHEMBL985807

COc1ccc2c(c1)CCN(C#N)C2c1cc(Cl)c(OC)c(OC)c1.COc1ccc2c(c1)CCN(C(C)=O)C2c1cc(Cl)c(OC)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
MTNR1B P49286 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
TRPV1 Q8NER1 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
MTNR1A P48039 1/20 0.39
GRIN2C Q14957 2/20 0.39
NOTUM Q6P988 1/20 0.39
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL4669565 0.92 TSHR (0.53) TSHRMTNR1BMEN1KMT2ACA1
SCHEMBL4669558 0.91 CA1 (0.45) CA1CA2CA9CA14CA7
SCHEMBL985355 0.85 TSHR (0.58) TSHRMTNR1BMEN1KMT2ACA1
SCHEMBL986382 0.84 CA1 (0.48) CA1CA2CA9CA14CA7
SCHEMBL987520 0.84 MEN1 (0.45) TSHRMTNR1BMEN1KMT2ACA1
SCHEMBL986893 0.83 CA1 (0.41) KMT2ACA1CA2CA9CA14
SCHEMBL985641 0.78 CA1 (0.54) TSHRMTNR1BCA1CA2CA9
SCHEMBL4671224 0.78 MTNR1B (0.49) TSHRMTNR1BMEN1KMT2ATRPV1
SCHEMBL987287 0.77 CA1 (0.52) CA1CA2CA9CA14CA12
SCHEMBL986456 0.77 EDNRA (0.49) TSHRMTNR1BMEN1KMT2ACA1

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-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
US-20070129399-A1 Tetrahydroisoquinoline-and tetrahydrobenzazepine derivatives as igf-1r inhibitors ANALYTECON S.A. (CH) 2007-06-07 US claimed

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 TSHR 42/4885MTNR1B 37/4885MEN1 1041/4885

“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.