SCHEMBL7596900

SCHEMBL7596900

C[AsH]c1ccccc1-c1cnc(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2C)o1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.39
CHRNB2 P17787 11/20 0.36
CHRNA7 P36544 11/20 0.36
CHRNA4 P43681 11/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
USP30 Q70CQ3 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL7121526 0.87 HDAC1 (0.48) ACKR3CHRNB2CHRNA7CHRNA4HDAC1
SCHEMBL7128217 0.87 FAAH (0.42) ACKR3CHRNB2CHRNA7CHRNA4HDAC1
SCHEMBL7122085 0.86 HDAC1 (0.47) ACKR3CHRNB2CHRNA7CHRNA4HDAC1
SCHEMBL7118281 0.86 ACKR3 (0.40) ACKR3CHRNB2CHRNA7CHRNA4HDAC1
SCHEMBL7125142 0.86 ACKR3 (0.47) ACKR3CHRNB2CHRNA7CHRNA4HDAC1
SCHEMBL7161105 0.86 FAAH (0.43) ACKR3CHRNB2CHRNA7CHRNA4HDAC1
SCHEMBL7117709 0.85 ACKR3 (0.40) ACKR3CHRNB2CHRNA7CHRNA4HDAC1
SCHEMBL7120510 0.85 HDAC1 (0.50) ACKR3CHRNB2CHRNA7CHRNA4HDAC1
SCHEMBL7116085 0.84 TUBB4A (0.49) ACKR3CHRNB2CHRNA7CHRNA4HDAC1
SCHEMBL7224496 0.84 FAAH (0.46) ACKR3CHRNB2CHRNA7CHRNA4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed

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-20020042429-A1 Quinuclidine-substituted heteroaryl moieties for treatment of disease PARK7, CYP3A7, UGT2B7 ACKR3 1448/4885CHRNB2 557/4885CHRNA7 28/4885

“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.