SCHEMBL22277150

SCHEMBL22277150

CNC(=O)CCC1CCCN1C

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.45
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CHRM3 P20309 3/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA5 P30532 2/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNA4 P43681 2/20 0.39
TERT O14746 1/20 0.38

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
SCHEMBL12847892 0.86 ACKR3 (0.44) ACKR3CYP1A2ALDH1A1CHRM3TERT
SCHEMBL15745587 0.85 POLB (0.49) ACKR3CYP1A2ALDH1A1CHRM3CHRNB2
SCHEMBL12847891 0.85 ACKR3 (0.38) ACKR3CYP1A2ALDH1A1CHRM3CHRNB2
SCHEMBL10244794 0.82 CHRNB2 (0.41) CYP1A2ALDH1A1CHRNB2CHRNA5CHRNA7
SCHEMBL16328043 0.80 CYP1A2 (0.47) ACKR3CYP1A2ALDH1A1CHRNB2CHRNA5
SCHEMBL19708766 0.80 CYP1A2 (0.47) CYP1A2ALDH1A1CHRM3CHRNB2CHRNA5
SCHEMBL19544406 0.80 CYP1A2 (0.47) ACKR3CYP1A2ALDH1A1CHRNB2CHRNA5
SCHEMBL15745596 0.80 MAPT (0.49) ACKR3CYP1A2ALDH1A1TERT
SCHEMBL19544407 0.79 CYP1A2 (0.46) ACKR3CYP1A2ALDH1A1CHRM3CHRNB2
SCHEMBL18688759 0.75 CYP1A2 (0.55) CYP1A2CHRM3CHRNB2CHRNA5CHRNA7

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-20200239443-A1 Preparation Method for Tyrosine Kinase Inhibitor and Intermediate Thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-07-30 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-20200239443-A1 Preparation Method for Tyrosine Kinase Inhibitor and Intermediate Thereof ABL1, ABL2, LYN ACKR3 3432/4885CYP1A2 1057/4885ALDH1A1 3329/4885

“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.