SCHEMBL19732441

SCHEMBL19732441

CC(C)c1cccc(CNCCN(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.46
BACE1 P56817 4/20 0.45
BCHE P06276 4/20 0.44
VSIR Q9H7M9 2/20 0.44
MAP4K4 O95819 1/20 0.43
CTSD P07339 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
EGFR P00533 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM2 P08172 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL10077679 0.82 BACE1 (0.48) BACE1BCHECTSDL3MBTL1CHRM2
SCHEMBL18542697 0.81 MC4R (0.54) BACE1BCHEVSIRCTSDL3MBTL1
SCHEMBL13999438 0.81 BACE1 (0.50) BACE1BCHECTSDSMN1; SMN2L3MBTL1
SCHEMBL11983543 0.79 TERT (0.49) TERTVSIRMAP4K4SMN1; SMN2KDM4E
SCHEMBL13675373 0.79 TERT (0.49) TERTVSIRMAP4K4SMN1; SMN2CHRM2
SCHEMBL19523060 0.78 BCHE (0.49) BACE1BCHECTSDSMN1; SMN2KDM4E
SCHEMBL10053248 0.78 TAAR1 (0.58) SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL12956598 0.78 BCHE (0.56) BACE1BCHECTSDSMN1; SMN2KDM4E
SCHEMBL19121876 0.78 BACE1 (0.48) BACE1BCHECTSDL3MBTL1CHRM2
SCHEMBL22882317 0.78 MC4R (0.56) BACE1BCHECTSDCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316017-B2 COT modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS TERT 300/4885BACE1 4825/4885BCHE 2563/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS TERT 300/4885BACE1 4825/4885BCHE 2563/4885

“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.