SCHEMBL30369377

SCHEMBL30369377

CCN(CC)CCNCCOc1nccc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 4/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NEK1 Q96PY6 1/20 0.32
▸ SIGMAR1 Q99720 2/20 0.32
▸ CACNA2D1 P54289 1/20 0.32

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
SCHEMBL30091886 0.78 LMNA (0.39) CCR4S1PR1KDM4ELMNAHTT
SCHEMBL30369342 0.76 CCR4 (0.46) CCR4KDM4ELMNAHTTHSD17B10
SCHEMBL14345363 0.73 MAPK8 (0.43) LMNAHTTHSD17B10ALDH1A1NPSR1
SCHEMBL14345462 0.72 CHRNB2 (0.44) KDM4E
SCHEMBL18081852 0.72 MAPK8 (0.45) LMNAHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL14301470 0.71 HRH3 (0.43) KDM4EALDH1A1
SCHEMBL10409559 0.70 DRD4 (0.62) KDM4EHTTDRD2DRD4DRD3
SCHEMBL8154440 0.69 MAPK8 (0.41) NPSR1
SCHEMBL16002427 0.69 TSHR (0.42) HSD17B10ALDH1A1MEN1KMT2ANPSR1
SCHEMBL2181408 0.68 DRD2 (0.44) HTTDRD2DRD4DRD3SIGMAR1

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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 — — US disclosed
EP-4129282-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-02-08 — — EP 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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 CCR4 97/4885S1PR1 2886/4885KDM4E 2362/4885

“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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