SCHEMBL938061

SCHEMBL938061

FC1CCN(Cc2cccnc2)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.61
CHRNA4 P43681 1/20 0.61
TRPV6 Q9H1D0 4/20 0.53
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
SLC18A3 Q16572 2/20 0.49
SIGMAR1 Q99720 1/20 0.49
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6975576 0.86 CHRNB2 (0.59) CHRNB2CHRNA4TRPV6ALDH1A1MAPT
SCHEMBL2037248 0.86 CHRNB2 (0.59) CHRNB2CHRNA4TRPV6ALDH1A1MAPT
Hydrochloric Acid SCHEMBL8052496 0.85 CHRNB2 (0.58) CHRNB2CHRNA4TRPV6ALDH1A1MAPT
SCHEMBL14197746 0.83 CHRNB2 (0.59) CHRNB2CHRNA4TRPV6ALDH1A1MAPT
SCHEMBL6398126 0.83 CHRNB2 (0.59) CHRNB2CHRNA4TRPV6ALDH1A1MAPT
SCHEMBL6399377 0.83 CHRNB2 (0.59) CHRNB2CHRNA4TRPV6ALDH1A1MAPT
SCHEMBL5015324 0.83 CHRNB2 (0.68) CHRNB2CHRNA4TRPV6ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL61401 0.81 CHRNB2 (0.66) CHRNB2CHRNA4TRPV6ALDH1A1KDM4E
SCHEMBL23291215 0.81 CHRNB2 (0.56) CHRNB2CHRNA4TRPV6ALDH1A1MAPT
SCHEMBL23291216 0.81 CHRNB2 (0.56) CHRNB2CHRNA4TRPV6ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8569302-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-10-29 US disclosed
EP-2475657-B1 5-ALKINYLTHIEN-2-YLCARBOXYLIC ACIDS AS INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2013-06-12 EP disclosed
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-01-27 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 (2 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-20140030223-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 CHRNB2 4880/4885CHRNA4 4852/4885TRPV6 4636/4885
US-20110020278-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 CHRNB2 4880/4885CHRNA4 4852/4885TRPV6 4636/4885

“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.