SCHEMBL14825166

SCHEMBL14825166

Cc1ccccc1C(=O)N1CCCN(C(=O)c2ccccc2C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 1.00
MAPT P10636 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
ALDH1A1 P00352 3/20 0.62
GBA1 P04062 3/20 0.60
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP3A4 P08684 1/20 0.59
HPGD P15428 1/20 0.59
KMT2A Q03164 2/20 0.58
HTR2B P41595 1/20 0.57
MAPK14 Q16539 1/20 0.57

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
SCHEMBL13162411 0.98 HTT (0.96) HTTMAPTNPSR1ALDH1A1GBA1
SCHEMBL30530619 0.94 HTT (0.89) HTTMAPTNPSR1ALDH1A1GBA1
SCHEMBL1520613 0.94 HTT (0.89) HTTMAPTNPSR1ALDH1A1GBA1
SCHEMBL10722320 0.94 HTT (0.89) HTTMAPTNPSR1ALDH1A1CYP2C9
SCHEMBL10330512 0.93 HTT (0.86) HTTMAPTNPSR1ALDH1A1GBA1
SCHEMBL2538595 0.93 HTT (0.86) HTTMAPTNPSR1ALDH1A1GBA1
SCHEMBL14818758 0.92 HTT (0.84) HTTMAPTNPSR1ALDH1A1GBA1
SCHEMBL13162034 0.90 HTT (0.81) HTTMAPTNPSR1ALDH1A1GBA1
SCHEMBL3088384 0.87 HTT (0.77) HTTMAPTNPSR1ALDH1A1GBA1
SCHEMBL4548030 0.87 HTT (0.77) HTTMAPTNPSR1ALDH1A1CYP2C9

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-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT Sourthern Research Institute Office of Commercialization and Intellectual Prop. (US) 2013-04-04 US disclosed
US-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT Sourthern Research Institute Office of Commercialization and Intellectual Prop. (US) 2013-04-04 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-20130085133-A1 ANTI-VIRAL TREATMENT AND ASSAY TO SCREENFOR ANTI-VIRAL AGENT MAVS, SNRPE, LONP1 HTT 4221/4885MAPT 4642/4885NPSR1 3728/4885

“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.