SCHEMBL16840144

SCHEMBL16840144

CC(C)[C@]1(O)CC[C@@H](OC(=O)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CHRNA7 P36544 5/20 0.54
▸ HTR3E A5X5Y0 1/20 0.54
▸ HTR3B O95264 1/20 0.54
▸ HTR3A P46098 1/20 0.54
▸ HTR3D Q70Z44 1/20 0.54
▸ HTR3C Q8WXA8 1/20 0.54
▸ GAA P10253 1/20 0.51
▸ LMNA P02545 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ APOBEC3A P31941 1/20 0.49
▸ APOBEC3G Q9HC16 1/20 0.49
▸ SCN1A P35498 1/20 0.48
▸ SCN2A Q99250 1/20 0.48
▸ SCN3A Q9NY46 1/20 0.48
▸ CARM1 Q86X55 1/20 0.47
▸ PRMT6 Q96LA8 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.44

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
SCHEMBL16840150 1.00 MEN1 (0.55) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL16841461 0.83 KMT2A (0.59) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL16841439 0.83 KMT2A (0.59) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL1886968 0.81 MEN1 (0.56) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL1786140 0.79 MEN1 (0.69) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL4453290 0.79 MEN1 (0.69) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL13918133 0.77 MEN1 (0.59) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL4147736 0.76 GAA (0.54) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL9248196 0.76 MEN1 (0.65) MEN1KMT2ACHRNA7HTR3EHTR3B
SCHEMBL1926317 0.76 MEN1 (0.65) MEN1KMT2ACHRNA7HTR3EHTR3B

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-9487504-B2 Imidazolyl analogs as syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-08 — — US disclosed
US-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2015-06-25 — — 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-20150175575-A1 IMIDAZOLYL ANALOGS AS SYK INHIBITORS SYK, BTK, LCK MEN1 4509/4885KMT2A 1843/4885CHRNA7 3353/4885

“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.

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