SCHEMBL2802118

SCHEMBL2802118

CNc1ncc2c(n1)-c1ccccc1C1(CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC1)C2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.49
TRPM8 Q7Z2W7 7/20 0.47
TRPV1 Q8NER1 7/20 0.45
NAMPT P43490 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 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
SCHEMBL2802122 1.00 NPY5R (0.49) NPY5RTRPM8TRPV1NAMPTLMNA
SCHEMBL2802088 0.91 NPY5R (0.49) NPY5RTRPV1LMNAMAPTSMN1; SMN2
SCHEMBL2802086 0.91 NPY5R (0.49) NPY5RTRPV1LMNAMAPTSMN1; SMN2
SCHEMBL2805890 0.91 NPY5R (0.47) NPY5RLMNAMAPTKMT2AHTT
SCHEMBL2805893 0.91 NPY5R (0.47) NPY5RLMNAMAPTKMT2AHTT
SCHEMBL2802647 0.90 NPY5R (0.43) NPY5RTRPM8
SCHEMBL2802649 0.90 NPY5R (0.43) NPY5RTRPM8
SCHEMBL2802712 0.90 HDAC3 (0.47) NPY5RTRPM8NAMPTMAPTSMN1; SMN2
SCHEMBL2802715 0.90 HDAC3 (0.47) NPY5RTRPM8NAMPTMAPTSMN1; SMN2
SCHEMBL2804422 0.89 NPY5R (0.47) NPY5RTRPV1NAMPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379506-B1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE INC (US) 2015-09-02 EP disclosed
EP-2379506-B1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE INC (US) 2015-09-02 EP disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
US-8357694-B2 Substituted 5,6-dihydro-6-phenylbenzo[F]isoquinolin-2-amine compounds ARQULE, INC. (US) 2013-01-22 US disclosed
US-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078421-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 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-20100239525-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F]ISOQUINOLIN-2-AMINE COMPOUNDS NQO1, DPYD, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 NPY5R 617/4885TRPM8 4362/4885TRPV1 2378/4885

“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.