SCHEMBL4185797

SCHEMBL4185797

COC(=O)Cn1c2c(c3ccccc31)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
KRAS P01116 2/20 0.51
PTGDR2 Q9Y5Y4 3/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
HSD17B10 Q99714 1/20 0.44
CYP2C9 P11712 1/20 0.43

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
SCHEMBL2248432 0.92 HDAC6 (0.66) HDAC1HDAC6KRASPTGDR2CHRM2
SCHEMBL6421798 0.89 HDAC1 (0.55) HDAC1HDAC6KRASPTGDR2CHRM2
SCHEMBL6421094 0.89 PTGDR2 (0.59) HDAC1HDAC6KRASPTGDR2CHRM2
SCHEMBL6424243 0.89 HDAC1 (0.55) HDAC1HDAC6KRASPTGDR2CHRM2
SCHEMBL6423329 0.88 HDAC1 (0.55) HDAC1HDAC6KRASPTGDR2CHRM2
SCHEMBL6421118 0.87 HDAC1 (0.55) HDAC1HDAC6KRASPTGDR2CHRM2
SCHEMBL6423858 0.87 HDAC1 (0.53) HDAC1HDAC6KRASPTGDR2CHRM2
SCHEMBL6421345 0.84 HDAC1 (0.67) HDAC1HDAC6
SCHEMBL6420742 0.83 HDAC1 (0.54) HDAC1HDAC6KRASCHRM2CHRM4
SCHEMBL6422016 0.83 HDAC1 (0.54) HDAC1HDAC6KRASCHRM2CHRM4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029979-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2009-01-29 US disclosed
EP-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed
US-6498251-B1 Tetrahydrobenzindole derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2002-12-24 US disclosed
EP-1057814-A1 TETRAHYDROBENZINDOLE DERIVATIVES Meiji Seika Kaisha, Ltd. (JP) 2000-12-06 EP 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-20090029979-A1 5-HTX MODULATORS HTR7, HTR5A, HTR2C HDAC1 1695/4885HDAC6 653/4885KRAS 4854/4885

“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.