SCHEMBL5321978

SCHEMBL5321978

COc1ccc(C(=O)C=CN2CCC(O)(C(O)CN3CCC(c4ccc(C(F)(F)F)cc4)CC3)CC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.39
TNNI3 P19429 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 1/20 0.39
KMT2A Q03164 1/20 0.39
SCN1A P35498 3/20 0.37
SCN5A Q14524 3/20 0.37
SCN9A Q15858 3/20 0.37
CCR2 P41597 1/20 0.36
MAPK7 Q13164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MCHR1 Q99705 2/20 0.36

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
SCHEMBL5325882 0.87 CCR1 (0.36) SCN1ASCN5ASCN9ACCR2
SCHEMBL5322924 0.87 CCR2 (0.37) CCR2MCHR1
SCHEMBL5321985 0.86 TACR1 (0.38) CCR2
SCHEMBL5333448 0.85 TACR1 (0.36) SCN1ASCN5ASCN9ACCR2
SCHEMBL5326187 0.82 USP2 (0.41) MAPTLMNAALDH1A1NPC1USP2
SCHEMBL14387112 0.81 CCR2 (0.56) ALDH1A1MEN1KMT2ACCR2KDM4E
SCHEMBL5455561 0.81 CCR2 (0.56) ALDH1A1MEN1KMT2ACCR2KDM4E
SCHEMBL5328087 0.80 CCR2 (0.46) MAPTLMNAALDH1A1NPC1USP2
SCHEMBL5321973 0.80 CCR2 (0.46) MAPTALDH1A1USP2CCR2
SCHEMBL5324486 0.79 CCR2 (0.46) MAPTALDH1A1USP2CCR2

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 4 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 claimed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 US claimed
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 MAPT 4100/4885LMNA 4541/4885ALDH1A1 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.