SCHEMBL25824636

SCHEMBL25824636

CCC(CC)CNc1cccc(NCCN)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
KARS1 Q15046 1/20 0.36
CAMK2D Q13557 1/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
CDK1 P06493 4/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL25824613 0.87 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL25824658 0.80 CYP3A4 (0.38) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL25824667 0.80 CYP3A4 (0.38) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL21799640 0.79 MAPT (0.44) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL29922565 0.79 MAPT (0.44) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL3130507 0.78 HTR6 (0.47) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL21942318 0.77 HDAC4 (0.34)
SCHEMBL9480445 0.77 MAPT (0.48) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL2151126 0.76 ADRB2 (0.40) ALDH1A1TSHR
SCHEMBL3138150 0.76 AKR1C3 (0.41) CA12CA9ALDH1A1TSHR

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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 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-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP1A2 2835/4885CYP3A4 3598/4885CYP2D6 3632/4885

“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.