SCHEMBL4452515

SCHEMBL4452515

COc1cc(C2(O)CCN(C(=O)COc3ccc(Cl)cc3)CC2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
MAPK1 P28482 2/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MAPT P10636 3/20 0.52
RAB9A P51151 2/20 0.52
POLB P06746 2/20 0.52
HPGD P15428 1/20 0.52
PKM P14618 2/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 2/20 0.49
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GHSR Q92847 1/20 0.47
ALDH1A1 P00352 3/20 0.47

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
SCHEMBL4455554 0.86 LMNA (0.51) LMNAMAPK1MAPTRAB9APOLB
SCHEMBL3078681 0.75 KDM4E (0.49) MAPK1KDM4EMAPTMEN1KMT2A
SCHEMBL3057616 0.75 KMT2A (0.58) LMNAKDM4EMAPTPOLBMEN1
SCHEMBL14542960 0.74 MAPT (0.49) LMNAMAPK1KDM4EMAPTPOLB
SCHEMBL13761264 0.74 MAPK1 (0.51) LMNAMAPK1KDM4EMAPTPOLB
SCHEMBL27979662 0.74 POLB (0.84) LMNAMAPK1KDM4EMAPTRAB9A
SCHEMBL14473315 0.71 ADORA2A (0.46) LMNAMAPK1ADORA2AADORA2BMAPT
SCHEMBL19709040 0.71 HPGD (0.97) LMNAKDM4EMAPTRAB9APOLB
SCHEMBL19691779 0.71 POLB (0.65) LMNAMAPK1KDM4EMAPTRAB9A
SCHEMBL4452507 0.71 CCR1 (0.71)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576218-B2 4-phenylpiperdine-pyrazole CCR1 antagonists CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
US-7576218-B2 4-phenylpiperdine-pyrazole CCR1 antagonists CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
US-7576218-B2 4-phenylpiperdine-pyrazole CCR1 antagonists CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
WO-2007044804-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 WO disclosed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 US disclosed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 US disclosed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 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-20070088036-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 LMNA 3293/4885MAPK1 1488/4885ADORA2A 321/4885

“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.