SCHEMBL26998993

SCHEMBL26998993

CC(C)(C)OC(=O)N1CCN(CCCCCN(Cc2ccccc2)Cc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.50
▸ ACKR3 P25106 3/20 0.50
▸ CHRM2 P08172 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ EPHX2 P34913 1/20 0.44
▸ STS P08842 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ ACHE P22303 1/20 0.43

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
SCHEMBL17782082 0.95 SIGMAR1 (0.52) SIGMAR1ACKR3CHRM2CHRM4CHRM1
SCHEMBL30380434 0.85 SIGMAR1 (0.51) SIGMAR1ACKR3CHRM2CHRM4CHRM1
SCHEMBL25642061 0.83 KDM4E (0.48) SIGMAR1
SCHEMBL7971782 0.82 SIGMAR1 (0.69) SIGMAR1ACKR3
SCHEMBL30750662 0.81 JAK2 (0.50) JAK2JAK1STS
SCHEMBL27380148 0.80 JAK2 (0.51) JAK2JAK1STS
SCHEMBL3712707 0.80 MEN1 (0.59) SIGMAR1ACKR3CHRM2CHRM4CHRM1
SCHEMBL8253901 0.79 USP2 (0.51) ACKR3CHRM2CHRM4CHRM1CHRM3
SCHEMBL22609490 0.79 ACKR3 (0.43) SIGMAR1ACKR3CHRM2CHRM4CHRM1
SCHEMBL21070919 0.79 ACKR3 (0.43) SIGMAR1ACKR3CHRM2CHRM4CHRM1

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-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof WANG, ZHEMING (CN) 2024-02-29 — — US disclosed
US-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof WANG, ZHEMING (CN) 2024-02-29 — — US disclosed
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof WANG, Zheming (CN) 2024-01-16 — — US disclosed
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof WANG, Zheming (CN) 2024-01-16 — — 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-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof NAMPT, NAPRT, NNMT SIGMAR1 3861/4885ACKR3 296/4885CHRM2 2521/4885
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof NAMPT, NAPRT, NNT SIGMAR1 3950/4885ACKR3 341/4885CHRM2 2526/4885

“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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