SCHEMBL13380447

SCHEMBL13380447

C[C@@H]1CN(C2CCN(C)CC2)[C@@H](C)CN1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ CHI3L1 P36222 1/20 0.32
▸ NCF1 P14598 1/20 0.31
▸ CHIT1 Q13231 2/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24326960 0.84 CHI3L1 (0.31) CHI3L1
SCHEMBL24327686 0.84 CHI3L1 (0.31) CHI3L1
SCHEMBL24327683 0.84 CHI3L1 (0.31) CHI3L1
SCHEMBL24326961 0.84 CHI3L1 (0.31) CHI3L1
SCHEMBL26778331 0.81 CHI3L1 (0.30) CHI3L1
SCHEMBL26778332 0.81 CHI3L1 (0.30) CHI3L1
SCHEMBL26778321 0.81 CHI3L1 (0.30) CHI3L1
SCHEMBL26778314 0.81 CHI3L1 (0.30) CHI3L1
SCHEMBL26778320 0.81 CHI3L1 (0.30) CHI3L1
SCHEMBL13380455 0.81 TSHR (0.31) GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 — — US disclosed
US-8318702-B2 Di(arylamino)aryl compounds ASTELLAS PHARMA INC. (JP) 2012-11-27 — — US disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 — — US disclosed
EP-2172461-A1 DI(ARYLAMINO)ARYL COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 — — EP 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 (2 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-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK ALDH1A1 3512/4885CHI3L1 1367/4885NCF1 698/4885
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK ALDH1A1 3512/4885CHI3L1 1367/4885NCF1 698/4885

“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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