SCHEMBL7050116

SCHEMBL7050116

CC(=O)N1C(C)CNCC1C.c1cc2ccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.46
CHRNB2 P17787 3/20 0.38
CHRNB4 P30926 3/20 0.38
CHRNA3 P32297 3/20 0.38
CHRNA4 P43681 3/20 0.38
HTR2A P28223 6/20 0.37
HTR2B P41595 6/20 0.37
CHRNA7 P36544 1/20 0.36
NOTUM Q6P988 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 2/20 0.34
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRND Q07001 1/20 0.33
BRD2 P25440 1/20 0.33

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
SCHEMBL377976 0.88 CHRNB2 (0.46) HTR2CCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1481267 0.88 CHRNB2 (0.46) HTR2CCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18081172 0.88 CHRNB2 (0.46) HTR2CCHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL1480990 0.86 CHRNB2 (0.45) HTR2CCHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL15956717 0.86 CHRNB2 (0.45) HTR2CCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7652729 0.70 CHRNB2 (0.56) HTR2CCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7652721 0.70 CHRNB2 (0.56) HTR2CCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2379324 0.70 HTR2C (0.46) HTR2CCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6368277 0.70 HTR2C (0.46) HTR2CCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28949604 0.70 HTR2C (0.46) HTR2CCHRNB2CHRNB4CHRNA3CHRNA4

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-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-06-19 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-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors MTTP, CETP, LIPC HTR2C 4037/4885CHRNB2 4743/4885CHRNB4 4757/4885

“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.