SCHEMBL12804152

SCHEMBL12804152

N#Cc1ccc2[nH]c(C(F)F)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
DRD2 P14416 5/20 0.43
DRD4 P21917 5/20 0.43
DRD3 P35462 5/20 0.43
ITK Q08881 1/20 0.37
CHUK O15111 1/20 0.36
CYP2A6 P11509 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
PIN1 Q13526 1/20 0.36
AR P10275 1/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL31020841 1.00 CYP19A1 (0.51) CYP19A1IMPDH2IMPDH1DRD2DRD4
SCHEMBL10022421 0.83 CYP19A1 (0.51) CYP19A1IMPDH2IMPDH1DRD2DRD4
SCHEMBL28984930 0.77 CYP19A1 (0.56) CYP19A1IMPDH2IMPDH1DRD2DRD4
SCHEMBL23928867 0.73 CYP19A1 (0.56) CYP19A1IMPDH2IMPDH1DRD2DRD4
SCHEMBL28863016 0.73 CYP19A1 (0.56) CYP19A1IMPDH2IMPDH1DRD2DRD4
SCHEMBL12778108 0.73 CYP19A1 (0.56) CYP19A1IMPDH2IMPDH1DRD2DRD4
SCHEMBL317688 0.73 CYP19A1 (0.56) CYP19A1IMPDH2IMPDH1DRD2DRD4
SCHEMBL1111552 0.72 IMPDH2 (0.51) CYP19A1IMPDH2IMPDH1DRD2DRD4
SCHEMBL15058859 0.70 CYP19A1 (0.81) CYP19A1IMPDH2IMPDH1ITKCDK5
SCHEMBL29443455 0.70 AOC3 (0.48) CYP2A6CHEK1

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 11 patents. 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
EP-3820869-A1 SPIROCHROMANE DERIVATIVES Richter Gedeon Nyrt. (HU) 2021-05-19 EP disclosed
CN-112823157-A Spirochroman derivatives 吉瑞工厂 2021-05-18 CN disclosed
WO-2020012422-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2020-01-16 WO 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
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

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 CYP19A1 1483/4885IMPDH2 2922/4885IMPDH1 2498/4885
US-20120252853-A1 Positive allosteric modulators of nicotinic acetylcholine receptor CHRNG, CHRNA7, CHRNA2 CYP19A1 3765/4885IMPDH2 3077/4885IMPDH1 3116/4885

“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.