SCHEMBL25824613

SCHEMBL25824613

CCCC(CCC)CNc1cccc(NCCN)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KARS1 Q15046 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR5 Q9H228 1/20 0.35
F2R P25116 2/20 0.34
CAMK2D Q13557 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TRPA1 O75762 1/20 0.33
CA12 O43570 1/20 0.33
CA3 P07451 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
SCHEMBL25824636 0.87 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL25824669 0.81 TSHR (0.36) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL25824662 0.81 TSHR (0.36) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL3128383 0.80 S1PR1 (0.50) S1PR4S1PR1S1PR5
SCHEMBL2150930 0.79 ADRB2 (0.39) TSHR
SCHEMBL2150483 0.77 AKR1C3 (0.40) MAPTTSHRHSD17B10S1PR4S1PR1
SCHEMBL25824641 0.77 CYP1A2 (0.44) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL22414327 0.76 MAPT (0.46) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL9480445 0.74 MAPT (0.48) CYP1A2CYP3A4CYP2D6MAPTCYP2C9
SCHEMBL15946012 0.74 S1PR1 (0.53) S1PR4S1PR1S1PR5

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.