Sugi Predict

Sugi Predict / Compounds / SCHEMBL928166

SCHEMBL928166

SCHEMBL928166

Cc1ccc(S(=O)(=O)OC2C3CN(c4cc(-c5ccccc5)on4)CC3CN2C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ PTGS2 P35354 2/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ CYP2C19 P33261 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL6324089 0.81 CHRNA7 (0.40) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL928386 0.78 NPC1 (0.35) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL6332378 0.78 ALDH1A1 (0.41) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL928324 0.78 USP30 (0.36) CYP1A2CYP2D6CYP2C19MEN1KMT2A
SCHEMBL928164 0.78 NPC1 (0.42) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL1791683 0.74 GHSR (0.42) PTGS2CYP1A2CYP2D6CHRNA7
SCHEMBL1792649 0.73 CHRNA7 (0.39) NPC1RAB9ACYP1A2CYP2D6CHRNA7
SCHEMBL1797114 0.71 KCNH2 (0.44) PTGS2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1792193 0.69 CHRNB2 (0.39) RAB9AMEN1KMT2AALDH1A1TDP1
SCHEMBL1802907 0.69 CHRNB2 (0.38) CYP1A2CYP2D6CHRNA7

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-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 — — US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 — — US disclosed
US-7399765-B2 Substituted diazabicycloalkane derivatives ABBOTT LABORATORIES (US) 2008-07-15 — — US disclosed
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease ABBVIE INC. 2005-05-12 — — 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 (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-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 NPC1 902/4885RAB9A 1215/4885CASP3 3668/4885
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease CHRNA7, CHRNA2, CHRNA6 NPC1 303/4885RAB9A 1951/4885CASP3 3685/4885

“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.