SCHEMBL5128084

SCHEMBL5128084

OC1(Cc2cccnc2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
TBXAS1 P24557 4/20 0.40
CHRNA7 P36544 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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 SCHEMBL3818810 0.98 TBXAS1 (0.41) NAPRTCYP1A2CYP2D6CHRNB2CHRNA4
SCHEMBL25517289 0.88 CHRNB2 (0.48) NAPRTCYP1A2CYP2D6CHRNB2CHRNA4
Tert-Butyl Formate SCHEMBL28023816 0.85 FDPS (0.37) NAPRTCYP1A2ALDH1A1
SCHEMBL25596626 0.81 MEN1 (0.50) NAPRTCYP1A2CYP2D6CHRNB2CHRNA4
SCHEMBL30385240 0.81 MAOA (0.46) CYP1A2CYP2D6CHRNB2CHRNA4CHRM2
SCHEMBL22660502 0.81 MAOA (0.46) CYP1A2CYP2D6CHRNB2CHRNA4CHRM2
SCHEMBL5122605 0.80 CYP2D6 (0.50) CYP2D6ALDH1A1
SCHEMBL613290 0.79 OPRL1 (0.51) CYP2D6MEN1KMT2AALDH1A1
SCHEMBL27953256 0.79 NAPRT (0.47) NAPRTCYP1A2TBXAS1MEN1KMT2A
SCHEMBL21651922 0.78 ALDH1A1 (0.48) CHRNB2CHRNA4CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF RAPT THERAPEUTICS INC (US) 2021-10-14 US disclosed
US-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF RAPT THERAPEUTICS INC (US) 2021-10-14 US disclosed
US-8580965-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-11-12 US disclosed
US-20080249128-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-10-09 US disclosed
WO-2008046573-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES FOR USE AS BRADYKININ 1 RECEPTOR MODULATORS Grünenthal GmbH (DE) 2008-04-24 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-20210317134-A1 UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 7 (USP7) MODULATORS AND USES THEREOF USP7, SENP7, USP8 NAPRT 2974/4885CYP1A2 3993/4885CYP2D6 4163/4885
US-20080249128-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 NAPRT 1067/4885CYP1A2 2446/4885CYP2D6 1656/4885

“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.