SCHEMBL12818674

SCHEMBL12818674

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.54
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ LOXL2 Q9Y4K0 6/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CYP2A6 P11509 1/20 0.36
▸ HPN P05981 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ CA5A P35218 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33
▸ CA5B Q9Y2D0 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ ASIC3 Q9UHC3 1/20 0.33

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
SCHEMBL12545763 0.83 F2 (0.51) F2GAAPKMLOXL2CYP2A6
SCHEMBL12958646 0.74 LOXL2 (0.50) F2GAAPKMLOXL2CYP2A6
SCHEMBL31020823 0.73 LOXL2 (0.49) F2GAAPKMLOXL2CYP2A6
SCHEMBL29673249 0.73 CYP2A6 (0.58) GAAPKMLOXL2CYP2A6KDM4E
SCHEMBL6683148 0.73 CYP2A6 (0.58) GAAPKMLOXL2CYP2A6KDM4E
SCHEMBL21617958 0.73 LOXL2 (0.49) F2GAAPKMLOXL2CYP2A6
Hydrochloric Acid SCHEMBL1111607 0.72 GAA (0.46) F2GAAPKMLOXL2CHRNA7
SCHEMBL1111547 0.72 GAA (0.46) F2GAAPKMLOXL2CHRNA7
SCHEMBL31020832 0.72 GAA (0.46) F2GAAPKMLOXL2CHRNA7
SCHEMBL12803354 0.70 LOXL2 (0.50) F2GAAPKMLOXL2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112823157-B Spirochroman derivatives 吉瑞工厂 2024-08-09 — — CN disclosed
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-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
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 (2 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-20210330650-A1 SPIROCHROMANE DERIVATIVES CHRNA7, CHRM3, ADRB3 F2 4717/4885GAA 3772/4885PKM 1650/4885
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA2 F2 4864/4885GAA 1661/4885PKM 2655/4885

“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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