SCHEMBL25993484

SCHEMBL25993484

C[C@@H]1CCCN(CCNc2ccc(CC(F)(F)I)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ TERT O14746 1/20 0.42
▸ HPGD P15428 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HRH3 Q9Y5N1 6/20 0.38
▸ MAOB P27338 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL19632887 0.80 SMN1; SMN2 (0.62) POLBSMN1; SMN2GAATERTHPGD
SCHEMBL5757616 0.72 HRH3 (0.56) ALDH1A1KDM4ECYP3A4CYP2C19HRH3
SCHEMBL17277592 0.67 CARM1 (0.60) SMN1; SMN2GAAHPGDALDH1A1KDM4E
SCHEMBL17888266 0.67 CARM1 (0.60) SMN1; SMN2GAAHPGDALDH1A1KDM4E
SCHEMBL17888267 0.67 CARM1 (0.60) SMN1; SMN2GAAHPGDALDH1A1KDM4E
SCHEMBL24460681 0.66 KDM4E (0.62) POLBALDH1A1KDM4EMAPTHRH3
SCHEMBL17886536 0.66 HRH3 (0.42) SMN1; SMN2GAAHPGDALDH1A1KDM4E
SCHEMBL17886535 0.66 HRH3 (0.42) SMN1; SMN2GAAHPGDALDH1A1KDM4E
SCHEMBL17886875 0.66 HRH3 (0.42) SMN1; SMN2GAAHPGDALDH1A1KDM4E
SCHEMBL21078331 0.65 KDM4E (0.47) POLBSMN1; SMN2GAAHPGDALDH1A1

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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF UNIV CALIFORNIA (US) 2023-06-29 — — 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-20230202974-A1 CASPASE 6 INHIBITORS AND USES THEREOF CASP6, CASP1, CASP10 POLB 4066/4885SMN1; SMN2 1519/4885GAA 303/4885

“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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