SCHEMBL14811147

SCHEMBL14811147

COc1cc(CCC2CC2)cc(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ RXRA P19793 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ PPM1D O15297 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL28133767 0.84 GPR84 (0.38) PPM1DCA1CA2GAA
SCHEMBL3547435 0.80 PLA2G2A (0.46) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL27975645 0.78 DAO (0.45) RAB9APPM1DKMT2A
SCHEMBL28138572 0.76 DAO (0.48) RAB9APPM1DKMT2A
SCHEMBL27999944 0.76 RXRA (0.47) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL57366 0.76 RXRA (0.47) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL14812309 0.76 NR1H4 (0.49) RXRAMEN1KMT2A
SCHEMBL10472668 0.75 PTGS2 (0.60) CNR1CNR2MEN1KMT2AALDH1A1
SCHEMBL12480647 0.74 RXRA (0.46) MRGPRX4TP53PKMNFKB1RAB9A
SCHEMBL5270681 0.74 CA1 (0.47) MRGPRX4TP53PKMNFKB1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3292110-B1 N-PIPERIDIN-4-YL DERIVATIVES MERCK SHARP & DOHME (NL) 2019-08-21 — — EP disclosed
EP-3292110-A1 N-PIPERIDIN-4-YL DERIVATIVES Merck Sharp & Dohme B.V. (NL) 2018-03-14 — — EP disclosed
US-8993757-B2 N-piperidin-4-yl derivatives MERCK SHARP & DOHME B.V. (NL) 2015-03-31 — — US disclosed
US-20140329822-A1 N-PIPERIDIN-4-YL DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2014-11-06 — — US disclosed
WO-2013041457-A1 N-PIPERIDIN-4-YL DERIVATIVES MSD OSS B.V. (NL) 2013-03-28 — — 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 (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-20140329822-A1 N-PIPERIDIN-4-YL DERIVATIVES PGR, CYP19A1, BRCA1 MRGPRX4 2340/4885TP53 3049/4885PKM 784/4885

“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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