SCHEMBL17152952

SCHEMBL17152952

CC(C)(C)OC(=O)CN1CCN(Cc2cc([N+](=O)[O-])ccc2C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.45
▸ LMNA P02545 4/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ CTSB P07858 1/20 0.43
▸ KCNJ1 P48048 1/20 0.43
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ NR2F2 P24468 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL17152954 0.91 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL17152947 0.90 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL17155173 0.89 ALDH1A1 (0.43) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL18412514 0.89 L3MBTL1 (0.43) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL17152949 0.86 CTSB (0.44) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL9883952 0.85 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL16656263 0.81 KDM4E (0.56) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL12195291 0.81 KDM4E (0.56) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL13558227 0.81 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2KDM4EHTT
SCHEMBL17152939 0.79 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2KDM4EHTT

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-10017509-B2 Macrocylic pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 — — US disclosed
US-10017509-B2 Macrocylic pyrimidine derivatives JANSSEN PHARMACEUTICA NV (BE) 2018-07-10 — — US disclosed
EP-3126364-B1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-02-07 — — EP disclosed
US-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 — — US disclosed
US-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 — — US disclosed
WO-2015150557-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 — — WO disclosed
WO-2015150555-A1 MACROCYLIC PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 — — 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 (3 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-20170022202-A1 MACROCYLIC PYRIMIDINE DERIVATIVES EEF2K, VPS26B, VPS28 ALDH1A1 4293/4885LMNA 4823/4885SMN1; SMN2 2885/4885
US-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES VPS26B, VPS4B, VPS28 ALDH1A1 4381/4885LMNA 4810/4885SMN1; SMN2 3304/4885
US-10017509-B2 Macrocylic pyrimidine derivatives EEF2K, VPS26B, VPS28 ALDH1A1 4293/4885LMNA 4823/4885SMN1; SMN2 2885/4885

“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.

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