SCHEMBL3324992

SCHEMBL3324992

COc1cc(Cl)ccc1Oc1nc(C)ccc1OC[C@H]1CCCNC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.45
HTR6 P50406 1/20 0.45
ACP1 P24666 1/20 0.43
S1PR4 O95977 1/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
KCNH2 Q12809 1/20 0.40
KIT P10721 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 3/20 0.39
CYP2D6 P10635 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
CTSS P25774 1/20 0.38
EHMT2 Q96KQ7 2/20 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
SCHEMBL3324999 1.00 SLC6A4 (0.45) SLC6A4HTR6ACP1S1PR4IKBKB
SCHEMBL3325306 0.90 S1PR4 (0.45) SLC6A4HTR6S1PR4IKBKBCHUK
SCHEMBL3325855 0.90 S1PR4 (0.45) SLC6A4HTR6S1PR4IKBKBCHUK
SCHEMBL3329442 0.90 KDM1A (0.42) ACP1IKBKBCHUKKCNH2KIT
SCHEMBL3324507 0.90 KDM1A (0.42) ACP1IKBKBCHUKKCNH2KIT
SCHEMBL3324490 0.89 CDK9 (0.41) IKBKBCHUKKCNH2KITIRAK4
SCHEMBL3324487 0.89 CDK9 (0.41) IKBKBCHUKKCNH2KITIRAK4
SCHEMBL3320864 0.88 SCN9A (0.44) SLC6A4HTR6ACP1S1PR4IKBKB
SCHEMBL3324210 0.88 SCN9A (0.44) SLC6A4HTR6ACP1S1PR4IKBKB
SCHEMBL3325029 0.87 CHRNB4 (0.45) SLC6A4ACP1IKBKBCHUKKIT

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 SLC6A4 1898/4885HTR6 832/4885ACP1 4022/4885

“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.