SCHEMBL6358060

SCHEMBL6358060

N=C(N)c1ccc(C2CC3CCC2N3)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.50
CHRNA4 P43681 5/20 0.50
CHRNA7 P36544 4/20 0.50
CHRNB4 P30926 4/20 0.50
CHRNA3 P32297 4/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CHRNA1 P02708 1/20 0.50
CHRNG P07510 1/20 0.50
CHRNB1 P11230 1/20 0.50
HPGD P15428 1/20 0.50
CHRND Q07001 1/20 0.50
CHRNA2 Q15822 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
Hydrochloric Acid SCHEMBL7055774 0.98 CHRNA7 (0.51) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6363620 0.79 SLC6A4 (0.52) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6358786 0.78 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6363932 0.78 CHRNB4 (0.66) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6358789 0.78 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7058624 0.78 CHRNA7 (0.52) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL7054482 0.77 CHRNB4 (0.64) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6357499 0.75 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL6357494 0.75 CHRNB2 (0.66) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3
SCHEMBL9240718 0.75 SLC6A3 (0.61) CHRNB2CHRNA4CHRNA7CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US claimed
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 US claimed
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC 2005-11-10 US disclosed
US-20030236405-A1 A nicotinic acetylcholine receptors, treating neurological and psychological disorders inflamnmatory bowel disease, irritable bowel syndrome, spastic dystonia, pain, vasoconstriction, anxiety, autism, depression, bipolar disorder YOHANNES DANIEL (US) 2003-12-25 US disclosed
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome PFIZER INC. 2003-07-17 US disclosed
US-20020038028-A1 For therapy of neurological and psychological disorders are claimed. YOHANNES DANIEL (US) 2002-03-28 US disclosed
US-20020035262-A1 7-hetero-bicyclo[2.2.1]-heptanes YOHANNES DANIEL (US) 2002-03-21 US disclosed
EP-0955301-A2 7-aza-bicyclo[2.2.1]-heptane derivatives, their preparation and use according to their affinity for neuronal nicotinic acetylchloline receptors Pfizer Products Inc. (US) 1999-11-10 EP 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 (5 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-20020038028-A1 For therapy of neurological and psychological disorders are claimed. GRIN2C, PNMT, GRIA4 CHRNB2 181/4885CHRNA4 102/4885CHRNA7 189/4885
US-20030236405-A1 A nicotinic acetylcholine receptors, treating neurological and psychological disorders inflamnmatory bowel disease, irritable bowel syndrome, spastic dystonia, pain, vasoconstriction, anxiety, autism, depression, bipolar disorder CHRNA1, CHRNA6, CHRNA2 CHRNB2 14/4885CHRNA4 8/4885CHRNA7 9/4885
US-20020035262-A1 7-hetero-bicyclo[2.2.1]-heptanes GRIN2C, CYP8B1, CYP11B2 CHRNB2 164/4885CHRNA4 181/4885CHRNA7 97/4885
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA7 CHRNB2 18/4885CHRNA4 8/4885CHRNA7 3/4885
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 CHRNB2 19/4885CHRNA4 4/4885CHRNA7 5/4885

“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.