SCHEMBL22482041

SCHEMBL22482041

OC1(CCCN(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
OPRM1 P35372 6/20 0.46
OPRL1 P41146 6/20 0.46
OPRD1 P41143 4/20 0.46
OPRK1 P41145 4/20 0.46
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
RYR2 Q92736 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
SCHEMBL1141081 0.89 OPRM1 (0.47) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL25663554 0.83 OPRM1 (0.42) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL17700363 0.78 ALDH1A1 (0.45) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL4974601 0.77 HDAC3 (0.61) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL11795941 0.77 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL11673147 0.75 HDAC3 (0.62) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL9356091 0.74 HDAC3 (0.50) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL140525 0.74 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL12493194 0.73 HTT (0.42) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL11530675 0.72 HDAC3 (0.40) HDAC3HDAC1HDAC2HDAC8NCOR2

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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2022-04-21 US disclosed
WO-2020198583-A1 BICYCLIC JAK INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2020-10-01 WO 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-20220119419-A1 BYCYCLIC JAK INHIBITORS AND USES THEREOF JAK1, JAK2, JAK3 HDAC3 299/4885HDAC1 431/4885HDAC2 331/4885

“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.