SCHEMBL22718878

SCHEMBL22718878

CC(C)(C)OC(=O)N1CCN(Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
LMNA P02545 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
KCNH2 Q12809 2/20 0.63
NR1I2 O75469 1/20 0.63
ABCB11 O95342 1/20 0.63
ESR1 P03372 1/20 0.63
PGR P06401 1/20 0.63
CYP3A4 P08684 1/20 0.63
PKM P14618 1/20 0.63
TSHR P16473 1/20 0.63
ADRA2B P18089 1/20 0.63
HTR2A P28223 1/20 0.63
ADRA1A P35348 1/20 0.63
HRH1 P35367 1/20 0.63
HTR2B P41595 1/20 0.63

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
SCHEMBL5536182 0.81 VEGFA (0.68) MAPTMEN1KMT2ANPSR1HTT
Clemizole SCHEMBL19976081 0.80 HIF1A (0.84) HIF1ATDP1LMNACYP1A2CYP2D6
Clemizole SCHEMBL19976085 0.80 HIF1A (0.88) HIF1ATDP1LMNACYP1A2CYP2D6
SCHEMBL11749672 0.80 HIF1A (0.79) HIF1ATDP1LMNACYP1A2CYP2D6
Clemizole SCHEMBL19976078 0.79 HIF1A (0.86) HIF1ATDP1LMNACYP1A2CYP2D6
Clemizole SCHEMBL19976082 0.79 HIF1A (0.80) HIF1ATDP1LMNACYP1A2CYP2D6
SCHEMBL15568741 0.79 ALDH1A1 (0.63) HIF1ATDP1LMNACYP1A2CYP2D6
Clemizole SCHEMBL29403196 0.78 HIF1A (1.00) HIF1ATDP1LMNACYP1A2CYP2D6
Clemizole SCHEMBL29938 0.78 HIF1A (1.00) HIF1ATDP1LMNACYP1A2CYP2D6
SCHEMBL15568517 0.78 ALDH1A1 (0.69) HIF1ATDP1LMNACYP1A2CYP2D6

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-20220226508-A1 METHODS AND COMPOSITIONS FOR TREATING EPILEPSY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-07-21 US disclosed
EP-3976187-A1 METHODS AND COMPOSITIONS FOR TREATING EPILEPSY The Regents of the University of California (US) 2022-04-06 EP disclosed
CN-114007692-A Methods and compositions for treating epilepsy 加利福尼亚大学董事会 2022-02-01 CN disclosed
WO-2020243349-A1 METHODS AND COMPOSITIONS FOR TREATING EPILEPSY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-03 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 (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-20220226508-A1 METHODS AND COMPOSITIONS FOR TREATING EPILEPSY HTR2B, HTR3B, HTR1B HIF1A 2361/4885TDP1 3912/4885LMNA 1868/4885

“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.