SCHEMBL784978

SCHEMBL784978

CN(C(=O)c1ccc2c(c1)C(N)CC2)C1CCN(c2ccc3cnccc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.41
F10 P00742 4/20 0.39
MCHR1 Q99705 2/20 0.38
SMYD3 Q9H7B4 1/20 0.37
POLB P06746 1/20 0.37
USP30 Q70CQ3 1/20 0.37
JAK2 O60674 3/20 0.36
JAK1 P23458 3/20 0.36
PRMT3 O60678 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CCR5 P51681 1/20 0.36
CCR3 P51677 1/20 0.35

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
SCHEMBL785119 0.87 MCHR1 (0.44) ACHEF10MCHR1POLBJAK2
SCHEMBL785118 0.87 MCHR1 (0.44) ACHEF10MCHR1POLBJAK2
SCHEMBL785076 0.86 F10 (0.39) F10MCHR1POLBJAK2JAK1
SCHEMBL784656 0.86 ABL1 (0.40) F10SMYD3PRMT3
SCHEMBL785319 0.84 F10 (0.39) F10MCHR1POLBJAK2JAK1
SCHEMBL785215 0.84 CTSS (0.41) F10SMYD3PRMT3ALDH1A1
SCHEMBL785020 0.84 POLB (0.38) ACHEPOLBJAK2JAK1PRMT3
SCHEMBL785873 0.84 DRD2 (0.39) F10MCHR1SMYD3JAK2JAK1
SCHEMBL803496 0.83 GPR119 (0.37) F10MCHR1USP30JAK2JAK1
SCHEMBL785442 0.83 PRMT3 (0.36) F10MCHR1SMYD3JAK2JAK1

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 ACHE 746/4885F10 524/4885MCHR1 363/4885

“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.