SCHEMBL20030199

SCHEMBL20030199

Cn1c(=O)c2c(ncn2CCNc2ccc(OCc3ccccc3)cc2)n(C)c1=O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
RXFP1 Q9HBX9 7/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ADORA2B P29275 2/20 0.58
TSHR P16473 1/20 0.58
MAOA P21397 2/20 0.55
MAOB P27338 2/20 0.55
PKM P14618 1/20 0.55
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.51
CASP1 P29466 1/20 0.50
CNOT7 Q9UIV1 1/20 0.49
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48

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
Methane SCHEMBL27474233 0.86 ALDH1A1 (0.65) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR
SCHEMBL684300 0.84 ALDH1A1 (0.55) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR
SCHEMBL10113917 0.83 RXFP1 (0.68) ALDH1A1RXFP1SMN1; SMN2TSHRTP53
SCHEMBL10966452 0.79 RXFP1 (0.64) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR
SCHEMBL18166647 0.79 CYP1A2 (0.66) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR
SCHEMBL18166669 0.78 ALDH1A1 (0.61) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR
SCHEMBL684304 0.78 RXFP1 (0.55) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR
SCHEMBL10500751 0.78 ALDH1A1 (0.71) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR
SCHEMBL7141074 0.78 RXFP1 (0.73) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR
SCHEMBL684309 0.78 ALDH1A1 (0.50) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR

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 ALDH1A1 540/4885RXFP1 611/4885SMN1; SMN2 365/4885
US-20180093986-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 ALDH1A1 540/4885RXFP1 611/4885SMN1; SMN2 365/4885

“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.