SCHEMBL22869746

SCHEMBL22869746

O=c1[nH]c2ccccc2n1[C@H]1CC[C@@H](C(=O)Nc2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
TSHR P16473 2/20 0.58
PLD2 O14939 4/20 0.55
OPRM1 P35372 3/20 0.54
HTR1A P08908 3/20 0.53
CHRM1 P11229 3/20 0.53
DRD2 P14416 3/20 0.53
HTR2A P28223 3/20 0.53
DRD3 P35462 3/20 0.53
KCNH2 Q12809 3/20 0.53
LMNA P02545 3/20 0.53
MLNR O43193 2/20 0.53
PGR P06401 2/20 0.53
ADRB2 P07550 2/20 0.53
CHRM2 P08172 2/20 0.53
ADRB1 P08588 2/20 0.53
ADRA2A P08913 2/20 0.53
CYP2D6 P10635 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53

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
SCHEMBL28512418 1.00 KMT2A (0.58) KMT2ATSHRPLD2OPRM1HTR1A
SCHEMBL30870137 0.83 KMT2A (0.52) KMT2ATSHRPLD2OPRM1DRD2
SCHEMBL22869512 0.83 KMT2A (0.52) KMT2ATSHRPLD2OPRM1DRD2
SCHEMBL28506714 0.83 KMT2A (0.52) KMT2ATSHRPLD2OPRM1DRD2
SCHEMBL20302481 0.81 ALDH1A1 (0.54) PLD2OPRM1CHRM1LMNACHRM2
SCHEMBL20334166 0.81 ALDH1A1 (0.54) PLD2OPRM1CHRM1LMNACHRM2
SCHEMBL22869573 0.81 HSD11B1 (0.64) PLD2OPRM1LMNAOPRK1PLD1
SCHEMBL22869396 0.81 HTT (0.49) KMT2ATSHRPLD2CHRM1DRD2
SCHEMBL28499858 0.81 HTT (0.49) KMT2ATSHRPLD2CHRM1DRD2
SCHEMBL30870207 0.81 HTT (0.49) KMT2ATSHRPLD2CHRM1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002250-A1 SUBSTITUTED BENZODIAZOLES AND USE THEREOF IN THERAPY THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2021-01-07 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-20210002250-A1 SUBSTITUTED BENZODIAZOLES AND USE THEREOF IN THERAPY XDH, CYP4X1, CYP11B2 KMT2A 1689/4885TSHR 1585/4885PLD2 2665/4885

“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.