SCHEMBL12445149

SCHEMBL12445149

O=C1CCCN1c1ccc(F)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
PDK2 Q15119 1/20 0.44
LMNA P02545 2/20 0.43
AKR1C3 P42330 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL30450132 0.87 ALDH1A1 (0.49) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL17080016 0.87 ALDH1A1 (0.49) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL16542450 0.85 ALDH1A1 (0.53) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL16178892 0.83 BRD9 (0.46) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL29710158 0.82 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6029717 0.82 ALDH1A1 (0.50) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL7812949 0.81 LMNA (0.54) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL31704180 0.81 ALDH1A1 (0.49) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL21515221 0.80 BRD9 (0.49) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL6985580 0.80 BRD9 (0.49) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6

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
US-9376436-B2 2-(pyridin-2yl)-1, 7-diaza-spiro [4.4] nonane-6-one compound as voltage-gated sodium channels modulators Convergence Pharmaceuticals Limited (GB) 2016-06-28 US disclosed
EP-2794612-B1 2-(PYRIDIN-2YL)-1,7-DIAZA-SPIRO[4.4]NONANE-6-ONE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2016-04-06 EP disclosed
US-20150225400-A1 2 - (PYRIDIN- 2YL)- 1, 7 -DIAZA-SPIRO [4.4] NONANE- 6 -ONE COMPOUND AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS Convergence Pharmaceuticals Limited (GB) 2015-08-13 US disclosed
EP-2794612-A1 2 - (PYRIDIN- 2YL) - 1, 7 -DIAZA- SPIRO [4.4]NONANE- 6 -ONE COMPOUNDS AS VOLTAGE - GATED SODIUM CHANNELS MODULATORS Convergence Pharmaceuticals Limited (GB) 2014-10-29 EP disclosed
WO-2013093497-A1 2 - (PYRIDIN- 2YL) - 1, 7 -DIAZA- SPIRO [4.4] NONANE- 6 -ONE COMPOUNDS AS VOLTAGE - GATED SODIUM CHANNELS MODULATORS Convergence Pharmaceuticals Limited (GB) 2013-06-27 WO disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
US-20130053372-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED 2013-02-28 US disclosed
WO-2011098776-A1 5-HT RECEPTOR MODULATORS CAMBRIDGE ENTERPRISE LIMITED (GB) 2011-08-18 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-20130053372-A1 5-HT RECEPTOR MODULATORS HTR1B, HTR5A, HTR1A ALDH1A1 987/4885HPGD 643/4885CYP1A2 627/4885
US-20150225400-A1 2 - (PYRIDIN- 2YL)- 1, 7 -DIAZA-SPIRO [4.4] NONANE- 6 -ONE COMPOUND AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS SCN1A, SCN2A, SCN1B ALDH1A1 705/4885HPGD 521/4885CYP1A2 1261/4885

“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.