SCHEMBL18013173

SCHEMBL18013173

CCc1cnn2c1NCCC2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
PLAT P00750 1/20 0.31
CHEK1 O14757 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL5148549 0.78 CYP4F2 (0.40) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL5150230 0.77 RIPK2 (0.33) CCNT1CDK9
SCHEMBL7925552 0.77 MAPT (0.35) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL25085475 0.74 SSTR4 (0.30)
SCHEMBL5148649 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18395054 0.73 LMNA (0.48) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL1800727 0.73 CCNT1 (0.30) CCNT1CDK9
SCHEMBL17869465 0.73 CHRNB2 (0.31) CCNT1CDK9
SCHEMBL12265082 0.72 SSTR4 (0.32) CCNT1CDK9
SCHEMBL4206342 0.72 DRD2 (0.33) CCNT1CDK9DRD4DRD3

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
WO-2023217879-A1 PYRROLIDIONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-01-12 US disclosed
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 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 (3 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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 MAPT 2286/4885SMN1; SMN2 3044/4885ALDH1A1 622/4885
US-20230011652-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 MAPT 1961/4885SMN1; SMN2 2580/4885ALDH1A1 2065/4885
US-20160229813-A1 ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, OPRM1 MAPT 661/4885SMN1; SMN2 1641/4885ALDH1A1 2154/4885

“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.