SCHEMBL1267286

SCHEMBL1267286

CN(C(=O)O)C1CCN(c2nnc(-c3ccc(C(F)(F)F)cc3)c3ccccc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMO Q99835 8/20 0.59
NPSR1 Q6W5P4 3/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
KDR P35968 1/20 0.48

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
SCHEMBL1411412 0.87 SMO (0.52) SMONPSR1HTTMEN1LMNA
SCHEMBL12435130 0.86 SMO (0.61) SMONPSR1HTTMEN1LMNA
Hydrochloric Acid SCHEMBL1268532 0.86 SMO (0.60) SMONPSR1HTTMEN1LMNA
SCHEMBL1268123 0.84 SMO (0.55) SMONPSR1HTTMEN1LMNA
SCHEMBL4257505 0.82 SMO (0.57) SMONPSR1HTTMEN1LMNA
SCHEMBL12435114 0.81 HTT (0.64) SMONPSR1HTTMEN1LMNA
SCHEMBL12435091 0.80 SMO (0.62) SMONPSR1HTTMEN1LMNA
SCHEMBL12435121 0.78 SMO (0.55) SMONPSR1HTTMEN1LMNA
Hydrochloric Acid SCHEMBL1268477 0.78 NPSR1 (0.54) SMONPSR1HTTMEN1LMNA
SCHEMBL1267028 0.78 NPSR1 (0.53) SMONPSR1HTTMEN1LMNA

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-7981892-B2 Disubstituted phthalazine hedgehog pathway antagonists ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
US-20110046143-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS ELI LILLY AND COMPANY (US) 2011-02-24 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-20110046143-A1 DISUBSTITUTED PHTHALAZINE HEDGEHOG PATHWAY ANTAGONISTS SHH, GLI1, SMO SMO 3/4885NPSR1 1903/4885HTT 1781/4885

“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.