SCHEMBL7042285

SCHEMBL7042285

CN(C(=S)[C@@H](CCC1CCCCC1)NC(=O)[C@@H]1CSCN1)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.39
ACHE P22303 3/20 0.37
HDAC1 Q13547 1/20 0.37
KCNH2 Q12809 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CCR5 P51681 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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 SCHEMBL5145057 0.99 CHRM4 (0.39) CHRM4ACHEHDAC1KCNH2CYP2C19
SCHEMBL7042279 0.84 CHRM4 (0.38) CHRM4ACHEHDAC1CYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL5145050 0.84 FNTA (0.38) CHRM4ACHEHDAC1CYP2C19SMN1; SMN2
SCHEMBL4835617 0.83 CYP2C19 (0.45) KCNH2CYP2C19SMN1; SMN2DRD2SIGMAR1
SCHEMBL7042545 0.82 NPFFR2 (0.44) ACHEHDAC1
Hydrochloric Acid SCHEMBL5141138 0.82 CYP2C19 (0.45) KCNH2CYP2C19SMN1; SMN2DRD2SIGMAR1
Hydrochloric Acid SCHEMBL5144608 0.81 NPFFR2 (0.43) ACHEHDAC1
SCHEMBL5118857 0.81 ACHE (0.48) CHRM4ACHECCR5
SCHEMBL5123677 0.80 ATM (0.40) CHRM4ACHE
SCHEMBL5123514 0.80 ALDH1A1 (0.37) SMN1; SMN2

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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US claimed
US-6605608-B1 Such as n-(1-benzylpiperidin-4-yl)-3-cyclohexylmethylthio-2-((4R)-3-t -butoxycarbonylthiazolidin-4-ylcarbonylamino)propan-a mide; n-type calcium channel inhibitors ONO PHARMACEUTICAL CO., LTD (JP) 2003-08-12 US claimed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 EP claimed

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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1S, CACNA1B CHRM4 2286/4885ACHE 165/4885HDAC1 3001/4885

“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.