SCHEMBL17953045

SCHEMBL17953045

O=C(c1ccccc1)N1C[C@H]2CNC[C@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 14/20 1.00
CHRNB2 P17787 11/20 1.00
CHRNB4 P30926 11/20 1.00
CHRNA3 P32297 11/20 1.00
CHRNA7 P36544 11/20 1.00
L3MBTL3 Q96JM7 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
SIGMAR1 Q99720 1/20 0.56
HTR3A P46098 1/20 0.53

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
SCHEMBL2031616 1.00 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL12858710 0.84 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL584394 0.84 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14676930 0.83 CHRNB2 (0.71) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17888324 0.83 CHRNA4 (0.71) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7094723 0.83 CHRNB2 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17888337 0.83 CHRNA4 (0.71) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17061691 0.83 CHRNA4 (0.71) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL15618170 0.81 CHRNA4 (0.69) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL21078273 0.80 CHRNA4 (0.67) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7

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-9920073-B2 Compositions useful for inhibiting HIV-1 infection and methods using same DREXEL UNIVERSITY (US) 2018-03-20 US disclosed
US-9920073-B2 Compositions useful for inhibiting HIV-1 infection and methods using same DREXEL UNIVERSITY (US) 2018-03-20 US disclosed
US-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME DREXEL UNIVERSITY (US) 2016-07-28 US disclosed
US-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME DREXEL UNIVERSITY (US) 2016-07-28 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-20160214998-A1 NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME CCL5, CCR5, CXCL10 CHRNA4 4569/4885CHRNB2 4444/4885CHRNB4 4436/4885

“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.