SCHEMBL1111547

SCHEMBL1111547

NCc1ccc2[nH]c(C(F)(F)F)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ F2 P00734 1/20 0.42
▸ LOXL2 Q9Y4K0 5/20 0.41
▸ LOX P28300 1/20 0.41
▸ NPBWR1 P48145 2/20 0.40
▸ KDM4E B2RXH2 4/20 0.38
▸ CYP2A6 P11509 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ METAP2 P50579 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ CHRNA7 P36544 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
Hydrochloric Acid SCHEMBL1111607 1.00 GAA (0.46) GAAPKMF2LOXL2LOX
SCHEMBL31020832 1.00 GAA (0.46) GAAPKMF2LOXL2LOX
SCHEMBL13640513 0.87 KDM4E (0.36) GAAPKMF2LOXL2NPBWR1
SCHEMBL21214072 0.83 GAA (0.42) GAAPKMF2LOXL2KDM4E
SCHEMBL12804197 0.77 LOXL2 (0.46) GAAPKMF2LOXL2NPBWR1
SCHEMBL19753215 0.77 CYP2A6 (0.53) GAAKDM4ECYP2A6CRHBPCRHR2
SCHEMBL28132432 0.74 LOXL2 (0.50) LOXL2KDM4E
SCHEMBL12958646 0.74 LOXL2 (0.50) GAAPKMF2LOXL2CYP2A6
SCHEMBL21617958 0.73 LOXL2 (0.49) GAAPKMF2LOXL2LOX
SCHEMBL21959783 0.73 KDM4E (0.60) GAALOXL2KDM4ECYP2A6CHRNA7

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820869-B1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT (HU) 2023-08-30 — — EP disclosed
US-20210330650-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2021-10-28 — — US disclosed
US-20210330650-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2021-10-28 — — US disclosed
CN-112823157-A Spirochroman derivatives 吉瑞工厂 2021-05-18 — — CN disclosed
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 — — US disclosed
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 — — US disclosed
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 — — US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 — — US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 — — US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 — — US disclosed
US-20110034515-A1 INDOLE MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-10 — — US disclosed
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 — — US disclosed
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 — — US disclosed
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXOSMITHKLINE SERVICES UNLIMITED (GB) 2011-02-03 — — US disclosed
EP-2279183-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 Glaxo Group Limited (GB) 2011-02-02 — — EP disclosed
EP-2279184-A1 INDOLE MODULATORS OF THE ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR Glaxo Group Limited (GB) 2011-02-02 — — EP disclosed
WO-2009127678-A1 INDOLES AS MODULATORS OF NICOTINIC ACETYLCHOLIN RECEPTOR SUBTYPE ALPHA-71 GLAXO GROUP LIMITED (GB) 2009-10-22 — — WO disclosed
WO-2009127678-A1 INDOLES AS MODULATORS OF NICOTINIC ACETYLCHOLIN RECEPTOR SUBTYPE ALPHA-71 GLAXO GROUP LIMITED (GB) 2009-10-22 — — WO disclosed
WO-2009127679-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXO GROUP LIMITED (GB) 2009-10-22 — — WO disclosed
WO-2009127679-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 GLAXO GROUP LIMITED (GB) 2009-10-22 — — 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 (4 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-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR CHRNA7, CHRNA5, CHRNA1 GAA 3122/4885PKM 4597/4885F2 4871/4885
US-20210330650-A1 SPIROCHROMANE DERIVATIVES CHRNA7, CHRM3, ADRB3 GAA 3772/4885PKM 1650/4885F2 4717/4885
US-20110034515-A1 INDOLE MODULATORS OF THE ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR CHRNA7, CHRNA5, CHRNG GAA 3715/4885PKM 3920/4885F2 4745/4885
US-20110028486-A1 INDOLES AS MODULATORS OF NICOTICIC ACETYLCHOLINE RECEPTOR SUBTYPE ALPHA-7 CHRNA7, CHRNA5, CHRNA6 GAA 4245/4885PKM 4554/4885F2 4845/4885

“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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