SCHEMBL9977121

SCHEMBL9977121

CC(=O)C1CNCC(C)C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 18/20 0.36
CHRNA4 P43681 18/20 0.36
CHRNB4 P30926 16/20 0.36
CHRNA3 P32297 16/20 0.36
CHRNA7 P36544 14/20 0.36
NOS2 P35228 1/20 0.31

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
SCHEMBL17776406 0.85 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL10179987 0.82 CYP2D6 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL26925512 0.82 CYP2D6 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL16579395 0.82 CYP2D6 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL26924945 0.82 CYP2D6 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25277658 0.82 CYP2D6 (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL26954587 0.82 NOS2 (0.31) NOS2
SCHEMBL20808834 0.80 KDM4E (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL20734409 0.80 KDM4E (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL20809274 0.80 KDM4E (0.45) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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 (7 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRNB2 4885/4885CHRNA4 4874/4885CHRNB4 4876/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRNB2 4885/4885CHRNA4 4874/4885CHRNB4 4876/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRNB2 4885/4885CHRNA4 4874/4885CHRNB4 4876/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRNB2 4885/4885CHRNA4 4874/4885CHRNB4 4876/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRNB2 4885/4885CHRNA4 4874/4885CHRNB4 4876/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRNB2 4885/4885CHRNA4 4874/4885CHRNB4 4876/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CHRNB2 4885/4885CHRNA4 4874/4885CHRNB4 4876/4885

“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.