SCHEMBL14430076

SCHEMBL14430076

COc1ccc(C2CCN(CC(O)C3CCN(C(=S)Nc4cccc(OC)c4)CC3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.61
▸ HTT P42858 1/20 0.52
▸ NPY2R P49146 1/20 0.52
▸ NPC1 O15118 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ DRD2 P14416 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL14430082 0.92 MAPT (0.55) RAB9AHTTNPC1ALDH1A1MEN1
SCHEMBL14387007 0.92 RAB9A (0.52) RAB9AHTTNPY2RNPC1ALDH1A1
SCHEMBL14386902 0.92 KMT2A (0.53) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL14386893 0.90 RAB9A (0.49) RAB9AHTTNPY2RNPC1ALDH1A1
SCHEMBL14430080 0.90 MEN1 (0.54) RAB9ANPY2RNPC1ALDH1A1MEN1
SCHEMBL14430081 0.87 LMNA (0.51) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL14430084 0.87 KMT2A (0.50) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL14387010 0.87 KMT2A (0.50) RAB9AHTTNPC1ALDH1A1MEN1
SCHEMBL14430079 0.85 KMT2A (0.48) RAB9ANPY2RNPC1ALDH1A1MEN1
SCHEMBL14430083 0.84 KMT2A (0.53) RAB9ANPY2RNPC1ALDH1A1MEN1

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
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 — — US 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 RAB9A 3799/4885HTT 3762/4885NPY2R 424/4885

“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.

Send feedback