SCHEMBL30008129

SCHEMBL30008129

Fc1ccccc1[C@H]1CCCCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 2/20 0.45
CHRNB2 P17787 2/20 0.45
CHRNA7 P36544 2/20 0.45
CHRNA4 P43681 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
KDM1A O60341 3/20 0.40
KDM1B Q8NB78 1/20 0.40
CHRM5 P08912 3/20 0.40
CHRM3 P20309 3/20 0.40
CHRM1 P11229 2/20 0.40
CHRM2 P08172 2/20 0.40

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
SCHEMBL30812563 1.00 KDM4E (0.46) KDM4EGAAMEN1KMT2ACYP2D6
SCHEMBL1764675 1.00 KDM4E (0.46) KDM4EGAAMEN1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL31444428 0.98 KDM4E (0.45) KDM4EGAAMEN1KMT2ACYP2D6
SCHEMBL30824576 0.94 CHRM5 (0.44) KDM4EGAAMEN1KMT2ACHRNB2
SCHEMBL29394965 0.94 CHRM5 (0.44) KDM4EGAAMEN1KMT2ACHRNB2
SCHEMBL859148 0.94 CHRM5 (0.44) KDM4EGAAMEN1KMT2ACHRNB2
SCHEMBL1051987 0.94 CHRM5 (0.44) KDM4EGAAMEN1KMT2ACHRNB2
SCHEMBL839974 0.94 CHRM5 (0.44) KDM4EGAAMEN1KMT2ACHRNB2
SCHEMBL29589462 0.94 CHRM5 (0.44) KDM4EGAAMEN1KMT2ACHRNB2
Hydrochloric Acid SCHEMBL839730 0.93 CHRM5 (0.43) KDM4EGAAMEN1KMT2ACHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240368204-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-11-07 US disclosed
EP-4353732-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-04-17 EP disclosed
CN-117642411-A Small molecule CD73 antagonists and uses thereof 西藏海思科制药有限公司 2024-03-01 CN disclosed
WO-2022237747-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF 四川海思科制药有限公司 2022-11-17 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-20240368204-A1 SMALL MOLECULAR CD73 ANTAGONIST AND USE THEREOF ENTPD5, ENTPD1, ENTPD2 KDM4E 1996/4885GAA 343/4885MEN1 2468/4885

“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.