SCHEMBL21799748

SCHEMBL21799748

CCC(C)NCc1ccc(CN)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
LTA4H P09960 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TPSAB1 Q15661 5/20 0.41
HRH3 Q9Y5N1 1/20 0.39
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL10943350 0.89 SIGMAR1 (0.54) SIGMAR1LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL13200686 0.85 CA2 (0.47) SIGMAR1LTA4HCYP2D6ALDH1A1CA2
SCHEMBL21799832 0.85 SIGMAR1 (0.43) SIGMAR1ALDH1A1TPSAB1HRH3PLG
SCHEMBL6617143 0.84 ITGB1 (0.49) SIGMAR1LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL13520306 0.83 SIGMAR1 (0.48) SIGMAR1LTA4HCYP2D6CYP2C9CYP2C19
SCHEMBL21799771 0.82 ALDH1A1 (0.62) SIGMAR1ALDH1A1TPSAB1HRH3LOXL2
SCHEMBL21800078 0.82 SIGMAR1 (0.41) SIGMAR1ALDH1A1TPSAB1
SCHEMBL21799563 0.82 TPSAB1 (0.42) CYP2D6CYP2C9CYP2C19ALDH1A1TPSAB1
SCHEMBL14549210 0.81 TPSAB1 (0.45) SIGMAR1LTA4HTPSAB1HRH3SMN1; SMN2
SCHEMBL21799512 0.81 TPSAB1 (0.39) SIGMAR1TPSAB1HRH3PSIP1LOXL2

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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
US-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 US disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 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 (1 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-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 SIGMAR1 3556/4885LTA4H 313/4885CYP2D6 2761/4885

“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.