SCHEMBL6358995

SCHEMBL6358995

Fc1cc([C@H]2CC3CCC2N3)ccc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.57
CHRNB4 P30926 4/20 0.50
CHRNA3 P32297 4/20 0.50
CHRNB2 P17787 6/20 0.49
CHRNA4 P43681 6/20 0.49
CHRNA7 P36544 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRNA1 P02708 1/20 0.47
CHRNG P07510 1/20 0.47
CHRNB1 P11230 1/20 0.47
HPGD P15428 1/20 0.47
CHRND Q07001 1/20 0.47
CHRNA2 Q15822 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL6358996 1.00 KDM1A (0.57) KDM1ACHRNB4CHRNA3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL7055502 0.99 KDM1A (0.56) KDM1ACHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6359475 0.83 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6359473 0.83 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6357489 0.79 CHRNB2 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6357491 0.79 CHRNB2 (0.56) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6360102 0.79 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6360098 0.79 CHRNB4 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL6362732 0.79 KDM1A (0.55) KDM1ACHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6359675 0.79 CHRNB4 (0.67) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA1

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 KDM1A 3370/4885CHRNB4 162/4885CHRNA3 183/4885
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 KDM1A 2533/4885CHRNB4 19/4885CHRNA3 7/4885
US-20020035262-A1 7-hetero-bicyclo[2.2.1]-heptanes GRIN2C, CYP8B1, CYP11B2 KDM1A 3364/4885CHRNB4 206/4885CHRNA3 211/4885
US-20030134844-A1 Nicontinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA7 KDM1A 1424/4885CHRNB4 20/4885CHRNA3 6/4885
US-20050250806-A1 Nicotinic acetylcholine receptor antagonists in the treatment of restless legs syndrome CHRNA5, CHRNA1, CHRNA2 KDM1A 1105/4885CHRNB4 20/4885CHRNA3 7/4885

“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.