SCHEMBL21451335

SCHEMBL21451335

CC(=O)NC1CCCCC1NCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 3/20 0.42
PSEN1 P49768 4/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39
PSENEN Q9NZ42 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EPHX1 P07099 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
KDM1A O60341 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
OGA O60502 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL16978964 0.82 SMN1; SMN2 (0.34) SSTR3SMN1; SMN2HSD17B10
SCHEMBL282958 0.80 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL283284 0.80 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL282957 0.80 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20999123 0.79 PSEN1 (0.42) SSTR3PSEN1PSEN2APH1BNCSTN
SCHEMBL24107251 0.79 SSTR3 (0.32) SSTR3ALDH1A1
SCHEMBL23783602 0.78 PSEN1 (0.41) SSTR3PSEN1PSEN2APH1BNCSTN
SCHEMBL14723906 0.76 PSEN1 (0.42) SSTR3PSEN1PSEN2APH1BNCSTN
SCHEMBL16748036 0.76 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13866403 0.75 SSTR3 (0.31) SSTR3SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210387941-A1 Diphenyl-like Compound, Intermediate Thereof, Preparation Method Therefor, Pharmaceutical Composition Thereof And Uses Thereof SHANGHAI MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2021-12-16 US disclosed
US-11078192-B2 Aromatic acetylene or aromatic ethylene compound, intermediate, preparation method, pharmaceutical composition and use thereof GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. 2021-08-03 US disclosed
US-20190308957-A1 AROMATIC ACETYLENE OR AROMATIC ETHYLENE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD (CN) 2019-10-10 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-20210387941-A1 Diphenyl-like Compound, Intermediate Thereof, Preparation Method Therefor, Pharmaceutical Composition Thereof And Uses Thereof CD274, PDCD1LG2, PDCD1 SSTR3 4425/4885PSEN1 248/4885PSEN2 784/4885
US-20190308957-A1 AROMATIC ACETYLENE OR AROMATIC ETHYLENE COMPOUND, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDCD1, CD274, PDCD1LG2 SSTR3 4567/4885PSEN1 59/4885PSEN2 238/4885
US-11078192-B2 Aromatic acetylene or aromatic ethylene compound, intermediate, preparation method, pharmaceutical composition and use thereof PDCD1, CD274, PDCD1LG2 SSTR3 4567/4885PSEN1 59/4885PSEN2 238/4885

“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.