SCHEMBL5889175

SCHEMBL5889175

CNC(=O)N1CCC(N2CCN(C(=O)OCc3ccccc3)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.52
GRIN2B Q13224 6/20 0.49
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP3A4 P08684 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2C P18825 1/20 0.47
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47

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
SCHEMBL1908733 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL29267051 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL21069737 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL22609548 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL14497257 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL29260056 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL31085811 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL30135958 0.83 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL23421452 0.82 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL30773875 0.82 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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-7115597-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2006-10-03 US disclosed
US-20040063720-A1 Tyrosine kinase inhibitors MERCK & CO., INC. 2004-04-01 US disclosed
US-20020137755-A1 Tyrosine kinase inhibitors BILODEAU MARK T (US) 2002-09-26 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-20020137755-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 SMN1; SMN2 4473/4885NPC1 3497/4885RAB9A 2382/4885
US-20040063720-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 SMN1; SMN2 4473/4885NPC1 3497/4885RAB9A 2382/4885

“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.