SCHEMBL3328810

SCHEMBL3328810

Cc1ccc(Oc2nc(C)ccc2OC[C@H]2CCCNC2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.43
KDM1A O60341 1/20 0.43
IKBKB O14920 2/20 0.42
CHUK O15111 2/20 0.42
IRAK4 Q9NWZ3 6/20 0.40
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
CTSS P25774 1/20 0.40
SYK P43405 3/20 0.38
AURKB Q96GD4 3/20 0.38
KCNH2 Q12809 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL3324733 1.00 MAP2K1 (0.43) MAP2K1KDM1AIKBKBCHUKIRAK4
SCHEMBL3325855 0.93 S1PR4 (0.45) MAP2K1IKBKBCHUKIRAK4PIM1
SCHEMBL3325306 0.93 S1PR4 (0.45) MAP2K1IKBKBCHUKIRAK4PIM1
SCHEMBL3325140 0.91 MAP2K1 (0.41) MAP2K1KDM1AIKBKBCHUKIRAK4
SCHEMBL3325149 0.91 MAP2K1 (0.41) MAP2K1KDM1AIKBKBCHUKIRAK4
SCHEMBL3329442 0.90 KDM1A (0.42) MAP2K1KDM1AIKBKBCHUKIRAK4
SCHEMBL3324507 0.90 KDM1A (0.42) MAP2K1KDM1AIKBKBCHUKIRAK4
SCHEMBL3324465 0.90 EED (0.43) MAP2K1KDM1AIKBKBCHUKIRAK4
SCHEMBL3324472 0.90 EED (0.43) MAP2K1KDM1AIKBKBCHUKIRAK4
SCHEMBL3326074 0.89 IKBKB (0.45) MAP2K1KDM1AIKBKBCHUKIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120858-A1 Piperidine Derivatives PFIZER INC. 2010-05-13 US claimed
EP-2066630-A1 PIPERIDINE DERIVATIVES Pfizer Products Incorporated (US) 2009-06-10 EP claimed
WO-2008023258-A1 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-28 WO claimed
US-20100120858-A1 Piperidine Derivatives PFIZER INC. 2010-05-13 US disclosed
EP-2066630-A1 PIPERIDINE DERIVATIVES Pfizer Products Incorporated (US) 2009-06-10 EP disclosed
WO-2008023258-A1 PIPERIDINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2008-02-28 WO 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-20100120858-A1 Piperidine Derivatives P2RX5, P2RX7, P2RX1 MAP2K1 4782/4885KDM1A 870/4885IKBKB 1359/4885

“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.