SCHEMBL2262663

SCHEMBL2262663

O=C(c1cc(C(F)(F)F)nn1-c1ccccc1Cl)N1CCC2(CC1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ HPGD P15428 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ NR3C2 P08235 1/20 0.42
▸ ALPL P05186 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40

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
SCHEMBL2257039 0.81 TRPV1 (0.42) NR3C2KMT2AMAPT
SCHEMBL2261010 0.81 HSD11B1 (0.44) ALDH1A1NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL2261159 0.80 THRB (0.49) ALDH1A1NPC1RAB9AGAATSHR
SCHEMBL2259894 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAAKDM4ETSHR
SCHEMBL2260490 0.79 DRD2 (0.44) NR3C2
SCHEMBL2257175 0.79 KMT2A (0.52) HPGDKMT2AHTTNPSR1
SCHEMBL2256062 0.79 MEN1 (0.52) ALDH1A1L3MBTL1SMN1; SMN2KDM4EKMT2A
SCHEMBL15706912 0.79 NR3C2 (0.36) ALDH1A1SMN1; SMN2RAB9AGAANR3C2
SCHEMBL2254796 0.78 SMN1; SMN2 (0.46) ALDH1A1NPC1SMN1; SMN2RAB9AHPGD
SCHEMBL2259076 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4ETSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 — — EP disclosed
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 — — EP disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 — — 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 ALDH1A1 3692/4885L3MBTL1 1269/4885NPC1 108/4885

“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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