SCHEMBL13058950

SCHEMBL13058950

CC(CN1CCOCC1)C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
LMNA P02545 5/20 0.67
MC4R P32245 1/20 0.57
CD274 Q9NZQ7 1/20 0.53
CHRM2 P08172 2/20 0.52
ADRA2B P18089 2/20 0.52
DRD3 P35462 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
HRH3 Q9Y5N1 2/20 0.52
HIF1A Q16665 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
EPAS1 Q99814 2/20 0.52
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MITF O75030 2/20 0.50
ATM Q13315 2/20 0.50
CYP2D6 P10635 1/20 0.50
ADRA2C P18825 1/20 0.50
CHRM3 P20309 1/20 0.50

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
SCHEMBL11004686 0.88 ALDH1A1 (0.69) ALDH1A1LMNACHRM2ADRA2BDRD3
Lanperisone SCHEMBL5819917 0.88 CHRM2 (0.68) ALDH1A1LMNAMC4RCHRM2ADRA2B
Lanperisone SCHEMBL570832 0.88 CHRM2 (0.68) ALDH1A1LMNAMC4RCHRM2ADRA2B
Hydrochloric Acid SCHEMBL11076147 0.87 ALDH1A1 (0.71) ALDH1A1LMNACHRM2ADRA2BDRD3
Lanperisone SCHEMBL5819985 0.86 ALDH1A1 (0.68) ALDH1A1LMNAMC4RCHRM2ADRA2B
Lanperisone SCHEMBL1987393 0.86 ALDH1A1 (0.68) ALDH1A1LMNAMC4RCHRM2ADRA2B
SCHEMBL9720545 0.86 CHRM2 (0.70) ALDH1A1LMNAMC4RCHRM2ADRA2B
SCHEMBL14384871 0.85 ALDH1A1 (0.72) ALDH1A1LMNAMC4RCD274CHRM2
SCHEMBL10850475 0.83 ALDH1A1 (0.74) ALDH1A1LMNACHRM2ADRA2BDRD3
SCHEMBL11946057 0.82 ALDH1A1 (0.72) ALDH1A1LMNAMC4RCHRM2ADRA2B

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-20100298329-A1 TOLPERISONE AND TOLPERISONE-LIKE DRUGS FOR THE TREATMENT OF K-RAS ASSOCIATED CANCERS MASSACHUSETTE INSTITUTE OF TECHNOLOGY (US) 2010-11-25 US disclosed
US-20100298329-A1 TOLPERISONE AND TOLPERISONE-LIKE DRUGS FOR THE TREATMENT OF K-RAS ASSOCIATED CANCERS MASSACHUSETTE INSTITUTE OF TECHNOLOGY (US) 2010-11-25 US disclosed
WO-2009038771-A2 TOLPERISONE AND TOLPERISONE-LIKE DRUGS FOR THE TREATMENT OF K-RAS ASSOCIATED CANCERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-03-26 WO 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-20100298329-A1 TOLPERISONE AND TOLPERISONE-LIKE DRUGS FOR THE TREATMENT OF K-RAS ASSOCIATED CANCERS NRAS, KRAS, RASGRP1 ALDH1A1 675/4885LMNA 4731/4885MC4R 1865/4885

“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.