SCHEMBL20748280

SCHEMBL20748280

COc1ccc(N2CCCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.66
HTR3B O95264 1/20 0.66
ADRB1 P08588 1/20 0.66
HTR3A P46098 1/20 0.66
HTR3D Q70Z44 1/20 0.66
HTR3C Q8WXA8 1/20 0.66
SIGMAR1 Q99720 1/20 0.66
MAPT P10636 5/20 0.59
RAB9A P51151 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 2/20 0.59
NR4A1 P22736 1/20 0.59
MCL1 Q07820 1/20 0.59
DRD2 P14416 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
MAPK1 P28482 2/20 0.57
HPGD P15428 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL107369 1.00 HTR3E (0.66) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL20415005 1.00 HTR3E (0.66) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL20415006 1.00 HTR3E (0.66) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL2925759 0.98 HTR3E (0.68) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL28599511 0.89 HTR3E (0.73) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL29656856 0.89 HTR3E (0.73) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL18409051 0.87 HTR3E (0.56) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL9658356 0.87 HTR3E (0.56) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL10769390 0.87 HTR3E (0.56) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL31164294 0.86 MAPT (0.68) MAPTRAB9AKMT2AALDH1A1NR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981887-B2 Benzothiophene estrogen receptor modulators G1 THERAPEUTICS, INC. (US) 2021-04-20 US disclosed
US-20200216406-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS G1 THERAPEUTICS, INC. (US) 2020-07-09 US disclosed
US-10633362-B2 Benzothiophene estrogen receptor modulators G1 THERAPEUTICS, INC. (US) 2020-04-28 US disclosed
US-20190119243-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS G1 THERAPEUTICS, INC. (US) 2019-04-25 US disclosed
US-10208011-B2 Benzothiophene estrogen receptor modulators G1 THERAPEUTICS, INC. (US) 2019-02-19 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 (5 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-10981887-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 HTR3E 407/4885HTR3B 609/4885ADRB1 261/4885
US-10208011-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 HTR3E 407/4885HTR3B 609/4885ADRB1 261/4885
US-20200216406-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS ESR1, GPER1, ESR2 HTR3E 407/4885HTR3B 609/4885ADRB1 261/4885
US-10633362-B2 Benzothiophene estrogen receptor modulators ESR1, GPER1, ESR2 HTR3E 407/4885HTR3B 609/4885ADRB1 261/4885
US-20190119243-A1 BENZOTHIOPHENE ESTROGEN RECEPTOR MODULATORS ESR1, GPER1, ESR2 HTR3E 407/4885HTR3B 609/4885ADRB1 261/4885

“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.