SCHEMBL12371684

SCHEMBL12371684

O[C@@H](CN(P)C[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.57
HTR2C P28335 3/20 0.57
DRD2 P14416 2/20 0.57
HTR2A P28223 2/20 0.57
HTR1A P08908 2/20 0.57
MLNR O43193 1/20 0.57
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
ADRA2A P08913 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CHRM1 P11229 1/20 0.57
KCNE1 P15382 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
CNR1 P21554 1/20 0.57
SLC6A2 P23975 1/20 0.57
NPY1R P25929 1/20 0.57
AVPR2 P30518 1/20 0.57
SLC6A4 P31645 1/20 0.57
ADRA1A P35348 1/20 0.57

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
SCHEMBL12371682 1.00 KCNH2 (0.57) KCNH2HTR2CDRD2HTR2AHTR1A
SCHEMBL8511597 0.90 DRD2 (0.69) KCNH2HTR2CDRD2HTR2AHTR1A
SCHEMBL8169712 0.90 DRD2 (0.69) KCNH2HTR2CDRD2HTR2AHTR1A
SCHEMBL8170772 0.90 DRD2 (0.69) KCNH2HTR2CDRD2HTR2AHTR1A
SCHEMBL8240610 0.90 DRD2 (0.69) KCNH2HTR2CDRD2HTR2AHTR1A
SCHEMBL13446087 0.84 HTR1A (0.61) KCNH2HTR2CDRD2HTR2AHTR1A
SCHEMBL19036167 0.84 HTR1A (0.61) KCNH2HTR2CDRD2HTR2AHTR1A
SCHEMBL13376761 0.84 HTR1A (0.61) KCNH2HTR2CDRD2HTR2AHTR1A
SCHEMBL19036166 0.84 HTR1A (0.61) KCNH2HTR2CDRD2HTR2AHTR1A
SCHEMBL19036168 0.84 HTR1A (0.61) KCNH2HTR2CDRD2HTR2AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7999124-B2 Process for preparing nebivolol ZACH SYSTEM S.P.A. (IT) 2011-08-16 US disclosed
US-7999124-B2 Process for preparing nebivolol ZACH SYSTEM S.P.A. (IT) 2011-08-16 US disclosed
US-20100056813-A1 PROCESS FOR PREPARING NEBIVOLOL ZACH SYSTEM S.P.A. (IT) 2010-03-04 US disclosed
US-20100056813-A1 PROCESS FOR PREPARING NEBIVOLOL ZACH SYSTEM S.P.A. (IT) 2010-03-04 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 (1 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-20100056813-A1 PROCESS FOR PREPARING NEBIVOLOL ADRB1, ADRB2, ADRA1B KCNH2 555/4885HTR2C 1138/4885DRD2 47/4885

“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.