SCHEMBL3704744

SCHEMBL3704744

C[C@@H]1CN(c2cncc(N)c2)C[C@H](C)O1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
CHRNB4 P30926 4/20 0.37
CHRNA3 P32297 4/20 0.37
KMT2A Q03164 1/20 0.37
CHRNB2 P17787 3/20 0.37
CHRNA4 P43681 3/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
MAP3K12 Q12852 1/20 0.35

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
SCHEMBL3540904 0.80 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3540906 0.80 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL13972914 0.76 ADRA2C (0.51) MAPTRAB9APIK3CAMTORKDM4E
SCHEMBL23515037 0.73 GAA (0.45) MAPTRAB9AKDM4EHTTCHRNB4
SCHEMBL2385628 0.73 MAPT (0.56) MAPTRAB9APIK3CAMTORKDM4E
SCHEMBL13370273 0.73 MAPT (0.56) MAPTRAB9APIK3CAMTORKDM4E
SCHEMBL13144984 0.73 MAPT (0.56) MAPTRAB9APIK3CAMTORKDM4E
SCHEMBL2386013 0.73 MAPT (0.56) MAPTRAB9APIK3CAMTORKDM4E
SCHEMBL2090418 0.73 MAPT (0.56) MAPTRAB9APIK3CAMTORKDM4E
Hydrochloric Acid SCHEMBL16210292 0.72 MAPT (0.54) MAPTRAB9APIK3CAMTORKDM4E

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-8722672-B2 Topical pharmaceutical composition including rel-N-[6-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-4′-(trifluoromethoxY)-[1,1′-biphenyl]-3-carboxamide NOVARTIS AG (CH) 2014-05-13 US disclosed
US-20120122866-A1 TOPICAL PHARMACEUTICAL COMPOSITION INCLUDING REL-N-[6-[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]-3-PYRIDINYL]-2-METHYL-4'-(TRIFLUOROMETHOXY)-[1,1'-BIPHENYL]-3-CARBOXAMIDE NOVARTIS AG (CH) 2012-05-17 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-20120122866-A1 TOPICAL PHARMACEUTICAL COMPOSITION INCLUDING REL-N-[6-[(2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL]-3-PYRIDINYL]-2-METHYL-4'-(TRIFLUOROMETHOXY)-[1,1'-BIPHENYL]-3-CARBOXAMIDE REL, PARN, NR4A2 MAPT 519/4885RAB9A 1293/4885PIK3CA 1145/4885

“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.