SCHEMBL5115830

SCHEMBL5115830

O=C(C1=NOC2(CCN(C(=S)NC3CCCC3)CC2)C1)N1CCN(c2ncccc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
TRPA1 O75762 2/20 0.40
PHGDH O43175 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MALT1 Q9UDY8 2/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL1456887 0.90 TRPA1 (0.41) MEN1KMT2ATRPA1CYP1A2CYP3A4
SCHEMBL5119052 0.87 CHRM4 (0.42) TRPA1PHGDHMALT1CHRM4
SCHEMBL5115851 0.85 TRPA1 (0.46) TRPA1CHRM4
SCHEMBL5052731 0.82 TRPA1 (0.46) TRPA1MALT1
SCHEMBL14423788 0.81 MEN1 (0.67) KDM4EMEN1KMT2AMAPTHTT
SCHEMBL5121480 0.81 TRPA1 (0.51) MAPTPKMTRPA1
SCHEMBL5114396 0.81 PHGDH (0.44) KDM4EMEN1KMT2AMAPTTRPA1
SCHEMBL1457178 0.81 P2RX7 (0.40) TRPA1MALT1CHRM4
SCHEMBL15397892 0.81 TRPA1 (0.47) KDM4ETRPA1
SCHEMBL5125632 0.80 TRPA1 (0.46) MEN1KMT2AMAPTPKMTRPA1

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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US claimed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 KDM4E 3418/4885MEN1 941/4885KMT2A 4068/4885

“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.