SCHEMBL13033969

SCHEMBL13033969

Cc1ccnc(N2CCN(CCO)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.56
▸ SORD Q00796 2/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ SLC6A7 Q99884 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ METAP1 P53582 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ OGA O60502 1/20 0.43

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
SCHEMBL7489291 0.90 SORD (0.49) ACHESORDSLC6A7
SCHEMBL15344948 0.83 SORD (0.52) ACHESORDKMT2ASLC6A7KDM4E
SCHEMBL12986068 0.81 ACHE (0.55) ACHESORDMEN1KMT2ACYP3A4
SCHEMBL11981508 0.81 MEN1 (0.62) SORDMEN1KMT2ACYP3A4CYP2C9
SCHEMBL9488628 0.80 SORD (0.56) ACHESORDSLC6A7OGA
Hydrochloric Acid SCHEMBL10410805 0.79 SORD (0.55) ACHESORDSLC6A7OGA
SCHEMBL6399783 0.79 MEN1 (0.58) ACHEMEN1KMT2ACYP3A4CYP2C9
SCHEMBL13532646 0.77 HTR1A (0.66) ACHESORDCYP2C9SLC6A7KDM4E
SCHEMBL7904079 0.77 SORD (0.55) ACHESORDSLC6A7KDM4EALDH1A1
SCHEMBL13806030 0.77 SORD (0.55) SORDSLC6A7KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 — — US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 — — 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-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 ACHE 4775/4885SORD 4493/4885MEN1 1312/4885

“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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