SCHEMBL20868109

SCHEMBL20868109

C[C@@H]1[C@H](N2CCNC2=O)CCCN1C(O)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ FKBP1A P62942 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ PREP P48147 1/20 0.33
▸ ACE2 Q9BYF1 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
SCHEMBL16786078 0.78 PREP (0.49) PREPACE2
SCHEMBL21241445 0.71 ACE (0.45) ALDH1A1FKBP1APREP
SCHEMBL26296615 0.70 FKBP1A (0.49) TSHRALDH1A1HPGDFKBP1APREP
SCHEMBL22908387 0.69 CARM1 (0.41) GAAKDM4ESIGMAR1HTR2CPREP
SCHEMBL17643432 0.67 CYP2C19 (0.44) POLBALDH1A1HPGDFKBP1AHTR2C
SCHEMBL16764831 0.67 ALDH1A1 (0.33) GAATSHRKDM4EALDH1A1HPGD
SCHEMBL3715538 0.66 SMN1; SMN2 (0.50) SIGMAR1FKBP1A
SCHEMBL25755557 0.65 FKBP1A (0.51) FKBP1A
SCHEMBL2858459 0.65 SMN1; SMN2 (0.61) GAA
SCHEMBL17395977 0.64 CYP2C19 (0.42) GAASIGMAR1

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-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC (US) 2019-04-04 — — 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-20190100505-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, LYN, LCK POLB 1811/4885GAA 1459/4885TSHR 2545/4885

“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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