SCHEMBL346487

SCHEMBL346487

CNC(=O)c1cc(CN(CCC2(CC(C)C)CCNCC2)C(=O)O)on1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.34
HPGD P15428 3/20 0.34
NPC1 O15118 8/20 0.33
SMN1; SMN2 Q16637 6/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 8/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 2/20 0.31
HSD17B10 Q99714 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 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
Hydrochloric Acid SCHEMBL345290 0.89 SMYD3 (0.33) RAB9AHPGDNPC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL344560 0.84 SMYD3 (0.35) RAB9AHPGDNPC1SMN1; SMN2ALDH1A1
SCHEMBL345771 0.77 MAPT (0.35) NPC1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL345648 0.76 HRH4 (0.38) RAB9AHPGDNPC1SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL346103 0.76 SMYD3 (0.32) RAB9ANPC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL9994167 0.71 SMYD3 (0.33) RAB9ANPC1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL345732 0.70 SMYD3 (0.38) RAB9ANPC1SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL9994525 0.69 SMYD3 (0.35)
SCHEMBL345257 0.67 PKM (0.35) ALDH1A1KDM4E
SCHEMBL345259 0.67 HRH4 (0.40) RAB9ANPC1MAPK1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-01-19 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 (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-20120015950-A1 CARBAMATE DERIVATIVES OF ALKYL-HETEROCYCLES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF INTS9, CDK8, SCN8A RAB9A 331/4885HPGD 2068/4885NPC1 1821/4885

“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.