SCHEMBL13751607

SCHEMBL13751607

CC1(O)CCCN(Cc2ccncc2)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 17/20 0.58
CYP2D6 P10635 14/20 0.58
CYP2C19 P33261 10/20 0.58
ALDH1A1 P00352 8/20 0.58
CYP2C9 P11712 14/20 0.55
CYP1A2 P05177 7/20 0.55
CASP1 P29466 1/20 0.53
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 2/20 0.49
USP2 O75604 4/20 0.48
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL6378751 0.84 CYP2D6 (0.57) CYP3A4CYP2D6ALDH1A1GAATSHR
SCHEMBL1427267 0.82 TNIK (0.47) CYP2D6ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL13741668 0.81 CYP3A4 (0.54) CYP3A4CYP2D6CYP2C19ALDH1A1CYP2C9
SCHEMBL19613477 0.78 OPRL1 (0.58) CYP3A4CYP2D6KDM4EGAATSHR
SCHEMBL951796 0.78 OPRL1 (0.58) CYP3A4CYP2D6KDM4EGAATSHR
Hydrochloric Acid SCHEMBL6615899 0.76 POLB (0.59) CYP3A4CYP2D6KDM4EGAATSHR
SCHEMBL30889332 0.76 CYP2D6 (0.54) CYP3A4CYP2D6ALDH1A1TSHRUSP2
SCHEMBL30278409 0.76 CYP2D6 (0.54) CYP3A4CYP2D6ALDH1A1TSHRUSP2
SCHEMBL30278414 0.76 CYP2D6 (0.54) CYP3A4CYP2D6ALDH1A1TSHRUSP2
SCHEMBL25153605 0.75 LPL (0.44) CYP3A4CYP2D6CYP2C19ALDH1A1CYP2C9

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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION 2009-08-27 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-20090215766-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES JAK1, JAK2, JAK3 CYP3A4 3493/4885CYP2D6 3376/4885CYP2C19 3165/4885

“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.