SCHEMBL21294033

SCHEMBL21294033

C=C(c1cccc(C)c1C)c1cncn1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.43
CYP11B2 P19099 9/20 0.43
IDO1 P14902 1/20 0.43
P2RX7 Q99572 5/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
HPGDS O60760 1/20 0.38
LMNA P02545 1/20 0.36
NOTUM Q6P988 1/20 0.35

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
SCHEMBL31181856 1.00 CYP11B1 (0.43) CYP11B1CYP11B2IDO1P2RX7GPBAR1
SCHEMBL9641140 0.80 HSP90AA1 (0.41) CYP11B1CYP11B2IDO1P2RX7GPBAR1
SCHEMBL699209 0.78 RAB9A (0.46) HSP90AA1LMNANOTUM
SCHEMBL9641142 0.75 HSP90AA1 (0.43) CYP11B1CYP11B2IDO1P2RX7GPBAR1
SCHEMBL2010567 0.72 KLKB1 (0.43) HPGDS
SCHEMBL9641864 0.72 CYP11B1 (0.51) CYP11B1CYP11B2IDO1P2RX7GPBAR1
SCHEMBL1812632 0.71 CYP11B1 (0.53) CYP11B1CYP11B2IDO1P2RX7GPBAR1
SCHEMBL9641647 0.71 CYP3A4 (0.44) CYP11B1CYP11B2IDO1P2RX7GPBAR1
SCHEMBL3143338 0.71 HSP90AA1 (0.44) CYP11B1CYP11B2IDO1P2RX7HSP90AA1
SCHEMBL3932992 0.70 CYP11B1 (0.56) CYP11B1CYP11B2IDO1P2RX7GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113321619-A Novel dexmedetomidine hydrochloride impurity and preparation method thereof 南京恒正药物研究院有限公司 2021-08-31 CN disclosed
US-20190262314-A1 READY-TO-USE DEXMEDETOMIDINE COMPOSITIONS SLAYBACK PHARMA LLC 2019-08-29 US disclosed
US-20190262314-A1 READY-TO-USE DEXMEDETOMIDINE COMPOSITIONS SLAYBACK PHARMA LLC 2019-08-29 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-20190262314-A1 READY-TO-USE DEXMEDETOMIDINE COMPOSITIONS OPRD1, OPRM1, DRD2 CYP11B1 68/4885CYP11B2 78/4885IDO1 110/4885

“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.