SCHEMBL5354908

SCHEMBL5354908

Cc1ccc(C)c(CCl)c1.[MgH2]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TNF P01375 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
PON1 P27169 1/20 0.37
AMY1A P0DUB6 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 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
SCHEMBL1030033 0.98 TAAR1 (0.56) TAAR1KMT2ANPSR1ALDH1A1TDP1
SCHEMBL5973313 0.81 TAAR1 (0.42) TAAR1KMT2ANPSR1ALDH1A1TDP1
SCHEMBL7337753 0.80 TAAR1 (0.39) TAAR1KMT2ANPSR1ALDH1A1TDP1
SCHEMBL9676726 0.80 NPSR1 (0.47) TAAR1KMT2ANPSR1ALDH1A1TDP1
SCHEMBL3125997 0.79 TAAR1 (0.63) TAAR1KMT2ANPSR1ALDH1A1TDP1
SCHEMBL92914 0.78 TAAR1 (0.56) TAAR1KMT2AALDH1A1TDP1POLB
SCHEMBL30613070 0.78 KMT2A (0.46) TAAR1KMT2ANPSR1ALDH1A1TDP1
SCHEMBL96223 0.78 KMT2A (0.46) TAAR1KMT2ANPSR1ALDH1A1TDP1
SCHEMBL18699782 0.77 KMT2A (0.42) TAAR1KMT2ANPSR1ALDH1A1TDP1
SCHEMBL9491792 0.77 TAAR1 (0.74) TAAR1KMT2AALDH1A1TDP1POLB

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-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US disclosed
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2003-12-18 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-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives CNR2, CNR1, HNMT TAAR1 2318/4885KMT2A 1074/4885NPSR1 308/4885

“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.