SCHEMBL20639760

SCHEMBL20639760

OC(c1ccc(N2CCN(c3ccc(Br)cc3)CC2)cc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 10/20 0.54
AKR1C3 P42330 1/20 0.43
MAPT P10636 1/20 0.40
OGA O60502 2/20 0.38
MAPK1 P28482 1/20 0.38
ROCK2 O75116 1/20 0.38
CYP3A4 P08684 1/20 0.38
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR1 P32246 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL20639946 0.85 IGF1R (0.52) IGF1RAKR1C3MAPTMAPK1KMT2A
SCHEMBL30270125 0.85 IGF1R (0.52) IGF1RAKR1C3MAPTMAPK1KMT2A
SCHEMBL20639675 0.85 OGA (0.54) IGF1RAKR1C3MAPTOGAROCK2
SCHEMBL30270105 0.84 IGF1R (0.49) IGF1RAKR1C3MAPTMAPK1DRD2
SCHEMBL20639882 0.84 IGF1R (0.49) IGF1RAKR1C3MAPTMAPK1DRD2
SCHEMBL609900 0.84 ESR1 (0.39) IGF1R
SCHEMBL1589426 0.84 ESR1 (0.39) IGF1R
SCHEMBL11685 0.84 ESR1 (0.39) IGF1R
SCHEMBL25160649 0.83 IGF1R (0.40) IGF1RAKR1C3MAPTOGAMAPK1
SCHEMBL20639952 0.83 IGF1R (0.50) IGF1RAKR1C3MAPTROCK2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
CN-108779094-B Metalloenzyme inhibitor compounds NQP 1598公司 2021-11-16 CN disclosed
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 US disclosed
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 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-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO IGF1R 1433/4885AKR1C3 1506/4885MAPT 2507/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO IGF1R 1433/4885AKR1C3 1506/4885MAPT 2507/4885

“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.