SCHEMBL20029975

SCHEMBL20029975

CN1C(=O)c2c(ncn2CC(=O)Nc2ccc(Cl)cc2)N(C)C1O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ MAPT P10636 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ FSCN1 Q16658 1/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FPR2 P25090 1/20 0.39
▸ KCNA5 P22460 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL21935695 0.86 PORCN (0.46) TP53TRPA1RXFP1SMN1; SMN2
SCHEMBL19590905 0.86 TRPA1 (0.41) MEN1KMT2AGAATSHRMAPT
SCHEMBL19590909 0.85 KMT2A (0.47) MEN1KMT2AGAATSHRMAPT
SCHEMBL20030198 0.85 TRPA1 (0.56) MEN1KMT2ATSHRTRPA1ALDH1A1
SCHEMBL19590966 0.84 ALDH1A1 (0.51) KMT2AGAAMAPTTP53THRB
SCHEMBL19626687 0.83 SMN1; SMN2 (0.42) MEN1KMT2AMAPTTHRBALDH1A1
SCHEMBL22105261 0.82 PSEN1 (0.41) MEN1KMT2AGAAMAPTTHRB
SCHEMBL22105263 0.82 PORCN (0.40) MEN1KMT2AMAPTTP53TRPA1
SCHEMBL19997382 0.82 PORCN (0.40) MEN1KMT2AGAAMAPTTP53
SCHEMBL19590943 0.82 GAA (0.45) GAAALDH1A1L3MBTL1SMN1; SMN2POLB

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-10351567-B2 Methods and compositions for treating pain ELI LILLY AND COMPANY (US) 2019-07-16 — — US disclosed
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN HYDRA BIOSCIENCES, INC. (US) 2018-04-05 — — 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 (2 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-10351567-B2 Methods and compositions for treating pain ACHE, COL2A1, MMP8 MEN1 4652/4885KMT2A 3581/4885GAA 876/4885
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 MEN1 4652/4885KMT2A 3581/4885GAA 876/4885

“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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