SCHEMBL2260917

SCHEMBL2260917

O=C(CN1CCN(C(=O)c2cc(C(F)(F)F)nn2-c2ccccc2Cl)CC1)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CCR1 P32246 1/20 0.40
▸ GFER P55789 1/20 0.39
▸ F10 P00742 2/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ DPP4 P27487 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
SCHEMBL2259682 0.92 MAPT (0.45) IRAK4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2260490 0.89 DRD2 (0.44) F10DRD2DRD3
SCHEMBL2255840 0.88 DRD2 (0.44) F10DRD2DRD3HPGD
SCHEMBL2257175 0.83 KMT2A (0.52) MEN1KMT2ANPSR1F10POLB
SCHEMBL2258635 0.83 ALDH1A1 (0.47) IRAK4ALDH1A1SMN1; SMN2TSHRKDM4E
SCHEMBL2258978 0.82 DRD2 (0.44) KMT2AF10DRD2DRD3NPC1
SCHEMBL2258997 0.81 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL2261296 0.80 RXRA (0.46) NPSR1TSHRF10POLB
SCHEMBL2256006 0.80 CNR1 (0.58) IRAK4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2259510 0.80 RXRA (0.42) MEN1KMT2AMAPTDRD2DRD3

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
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
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 — — 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 IRAK4 2300/4885ALDH1A1 3692/4885MEN1 3422/4885

“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