SCHEMBL21026523

SCHEMBL21026523

CC(C)c1ccc(C2CNC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.46
CHRNA4 P43681 2/20 0.46
HPGD P15428 1/20 0.46
SLC6A2 P23975 3/20 0.43
SLC6A3 Q01959 3/20 0.43
ALDH1A1 P00352 1/20 0.42
HTR3A P46098 1/20 0.42
SLC6A4 P31645 2/20 0.38
CYP2D6 P10635 1/20 0.38
HTT P42858 1/20 0.38
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38
KCNH2 Q12809 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 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
SCHEMBL16980528 0.84 HTR3A (0.65) HPGDHTR3A
SCHEMBL11984417 0.83 HTR3A (0.53) SLC6A2SLC6A3HTR3ASLC6A4CYP2D6
SCHEMBL29273461 0.79 HPGD (0.50) CHRNB2CHRNA4HPGDALDH1A1HTT
SCHEMBL30272556 0.79 HPGD (0.43) CHRNB2CHRNA4HPGDSLC6A2SLC6A3
SCHEMBL4672383 0.79 SLC18A3 (0.55) HPGDSLC6A2SLC6A3HTR3ASLC6A4
SCHEMBL25948029 0.77 CHRNB2 (0.34) CHRNB2CHRNA4ALDH1A1HTR3ACHRNB4
SCHEMBL25094188 0.76 CHRNB2 (0.49) CHRNB2CHRNA4HPGDSLC6A2SLC6A3
SCHEMBL22918240 0.75 HPGD (0.43) CHRNB2CHRNA4HPGDSLC6A2ALDH1A1
SCHEMBL28986633 0.75 HTR3A (0.36) CHRNB2CHRNA4SLC6A2SLC6A3HTR3A
SCHEMBL520532 0.75 CHRNB2 (0.50) CHRNB2CHRNA4SLC6A2SLC6A3ALDH1A1

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
WO-2023212693-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PETRA PHARMA CORPORATION (US) 2023-11-02 WO disclosed
US-10934303-B2 Aryl ethene derivative and pharmaceutical composition containing same as active ingredient DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION (KR) 2021-03-02 US disclosed
US-20190167820-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HWANG SUNG YEOUN (KR) 2019-06-06 US disclosed
US-20190161490-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT NOVMETAPHARMA CO., LTD. (KR) 2019-05-30 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 (3 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-20190167820-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ESRRG, ESR2, ESR1 CHRNB2 754/4885CHRNA4 1467/4885HPGD 337/4885
US-20190161490-A1 NOVEL ARYL ETHENE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT ESRRG, ESR2, ESR1 CHRNB2 754/4885CHRNA4 1467/4885HPGD 337/4885
US-10934303-B2 Aryl ethene derivative and pharmaceutical composition containing same as active ingredient ESRRG, ESR1, ESR2 CHRNB2 928/4885CHRNA4 1670/4885HPGD 291/4885

“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.