SCHEMBL5360028

SCHEMBL5360028

O=C(C=CN1CCC(C(=O)CBr)CC1)c1cc(F)c(F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 4/20 0.34
USP2 O75604 3/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 2/20 0.33
ALOX12 P18054 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
PKM P14618 1/20 0.32
MCHR1 Q99705 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL5367121 0.78 ALDH1A1 (0.35) NPC1RAB9AALDH1A1USP2MAPT
SCHEMBL5356356 0.74 CCR2 (0.49) ALDH1A1USP2MAPTALOX12POLB
SCHEMBL5360030 0.72 CCR2 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL14386914 0.72 CCR2 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL27520096 0.66 NLRP3 (0.35) RAB9A
SCHEMBL5358734 0.66 CHRM2 (0.32) CHRM2SMN1; SMN2MCHR1
SCHEMBL7499151 0.61 ACHE (0.59) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL1849394 0.61 CES2 (0.56) CES2CES1
SCHEMBL17430893 0.60 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1LMNAKMT2A
SCHEMBL942233 0.59 NLRP3 (0.41) ALDH1A1LMNASMN1; SMN2KMT2AMEN1

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
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 WO disclosed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 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-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS CCR2, CCR1, CCR5 NPC1 677/4885RAB9A 3799/4885ALDH1A1 905/4885

“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.