SCHEMBL16280607

SCHEMBL16280607

COc1ccc2c(c1)C(c1ccc(Cl)c(Cl)c1)N(C)CC2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD1 P21728 2/20 0.45
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL16979269 0.84 TRPV1 (0.54) DRD2DRD1KDM4ECA1CA2
SCHEMBL5244479 0.83 CA1 (0.55) DRD2DRD1KDM4ESMN1; SMN2CA1
SCHEMBL6253578 0.82 SLC6A2 (0.51) DRD2DRD1KDM4ESMN1; SMN2CA1
SCHEMBL29783557 0.82 PRCP (0.64) DRD2DRD1CA1CA2CA9
SCHEMBL28942533 0.82 PRCP (0.64) DRD2DRD1CA1CA2CA9
SCHEMBL7598346 0.81 SLC6A2 (0.53) DRD2DRD1KDM4ESMN1; SMN2CA1
SCHEMBL14354453 0.80 SLC6A2 (0.55) DRD2DRD1KDM4ESMN1; SMN2
SCHEMBL5244484 0.78 SMN1; SMN2 (0.52) DRD2DRD1KDM4ESMN1; SMN2CA1
SCHEMBL4467003 0.78 SLC6A2 (0.45) DRD2DRD1KDM4ESMN1; SMN2
SCHEMBL5245716 0.77 KDM4E (0.51) DRD2DRD1KDM4ESMN1; SMN2CA1

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-9173879-B2 Crystalline forms of (S)-7-([1,2,4]triazolo[1,5-a ]pyridin-6-yl)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-03 US disclosed
US-20140364441-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2014-12-11 US 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-20140364441-A1 CRYSTALLINE FORMS OF (S)-7-([1,2,4]TRIAZOLO[1,5-a]PYRIDIN-6-YL)-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE AND USE THEREOF UACA, SCN1A, NLN DRD2 1595/4885DRD1 1128/4885KDM4E 4453/4885

“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.