SCHEMBL12804197

SCHEMBL12804197

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 10/20 0.46
▸ F2 P00734 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NPBWR1 P48145 1/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ FFAR1 O14842 2/20 0.34
▸ NR3C1 P04150 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ NR3C2 P08235 1/20 0.34
▸ CYP2A6 P11509 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
SCHEMBL12967745 0.81 CYP2A6 (0.50) LOXL2F2GAAPKMSIRT1
SCHEMBL12958646 0.81 LOXL2 (0.50) LOXL2F2GAAPKMSIRT1
SCHEMBL12803354 0.78 LOXL2 (0.50) LOXL2F2GAAPKMSIRT1
SCHEMBL31020832 0.77 GAA (0.46) LOXL2F2GAAPKMNPBWR1
Hydrochloric Acid SCHEMBL1111607 0.77 GAA (0.46) LOXL2F2GAAPKMNPBWR1
SCHEMBL1111547 0.77 GAA (0.46) LOXL2F2GAAPKMNPBWR1
SCHEMBL5792170 0.74 F2 (0.61) LOXL2F2GAAPKM
SCHEMBL28414980 0.74 LOXL2 (0.58) LOXL2NR3C1PGRNR3C2
SCHEMBL1313330 0.74 LOXL2 (0.46) LOXL2
SCHEMBL12804457 0.73 NR3C1 (0.50) NR3C1PGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 — — US disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 — — US disclosed
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor H. LUNDBECK A/S (DK) 2012-10-04 — — US disclosed
WO-2012131031-A1 NEW POSITIVE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTOR H. LUNDBECK A/S (DK) 2012-10-04 — — 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-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA2 LOXL2 4182/4885F2 4864/4885GAA 1661/4885

“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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