SCHEMBL20639770

SCHEMBL20639770

OC(c1ccc(N2CCN(c3ccc(Br)cc3)CC2)cn1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.41
AKR1C3 P42330 1/20 0.38
CHRNB2 P17787 3/20 0.37
CHRNA4 P43681 3/20 0.37
PARP2 Q9UGN5 1/20 0.36
MAPT P10636 2/20 0.36
CCR1 P32246 1/20 0.35
MLYCD O95822 2/20 0.34
DHFR P00374 1/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL30270057 1.00 IGF1R (0.41) IGF1RAKR1C3CHRNB2CHRNA4PARP2
SCHEMBL20639991 0.86 IGF1R (0.39) IGF1RAKR1C3CHRNB2CHRNA4MAPT
SCHEMBL20639856 0.83 IGF1R (0.44) IGF1RAKR1C3CHRNB2CHRNA4PARP2
SCHEMBL20639609 0.81 IGF1R (0.41) IGF1RAKR1C3CHRNB2CHRNA4MAPT
SCHEMBL20639862 0.81 IGF1R (0.40) IGF1RAKR1C3MAPTCCR1LMNA
SCHEMBL20639973 0.81 MAPT (0.35) IGF1RAKR1C3CHRNB2CHRNA4MAPT
SCHEMBL30269980 0.81 MAPT (0.35) IGF1RAKR1C3CHRNB2CHRNA4MAPT
SCHEMBL20639760 0.79 IGF1R (0.54) IGF1RAKR1C3MAPTCCR1
SCHEMBL20640053 0.79 IGF1R (0.40) IGF1RAKR1C3CHRNB2CHRNA4MAPT
SCHEMBL20639956 0.79 IGF1R (0.45) IGF1RAKR1C3CHRNB2CHRNA4MAPT

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 1506/4885CHRNB2 4225/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO IGF1R 1433/4885AKR1C3 1506/4885CHRNB2 4225/4885

“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.