SCHEMBL7921166

SCHEMBL7921166

CCCCOc1cncc([C@H]2C[C@@H]2COCc2ccccn2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.41
CHRNA4 P43681 9/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
REN P00797 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FFAR1 O14842 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGAV P06756 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
SCHEMBL7928239 0.86 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3358436 0.85 KDM1A (0.46) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3358772 0.83 CHRNB2 (0.60) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL15115460 0.83 SYK (0.38) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL7928204 0.82 CHRNB2 (0.47) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3358138 0.82 CHRNB2 (0.36) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL7930412 0.81 CYP3A4 (0.46) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
Trifluoroacetic Acid SCHEMBL3357154 0.76 CHRNB2 (0.68) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL3361384 0.76 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6
SCHEMBL7918600 0.75 CHRNB2 (0.50) CHRNB2CHRNA4CHRNA3CHRNB3CHRNA6

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-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-07-18 US disclosed
US-8445684-B2 Nicotinic acetylcholine receptor ligands and the uses thereof PsycoGenics Inc. (US) 2013-05-21 US disclosed
US-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INC. (US) 2010-06-17 US disclosed
WO-2010045212-A2 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF PSYCHOGENICS, INCSTATUTS (US) 2010-04-22 WO 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-20100152450-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA4 5/4885CHRNA3 6/4885
US-20130184313-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AND THE USES THEREOF CHRNG, CHRNA5, CHRNA2 CHRNB2 12/4885CHRNA4 5/4885CHRNA3 6/4885

“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.