SCHEMBL27427367

SCHEMBL27427367

COc1ccc2[nH]cc(C[C@@H](C)NC(=O)OC(C)(C)C)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.57
HTR2B P41595 2/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
KDM4E B2RXH2 2/20 0.54
TACR1 P25103 2/20 0.53
MTNR1A P48039 4/20 0.53
MTNR1B P49286 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2D6 P10635 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A1 P04798 1/20 0.52
MPO P05164 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
NQO2 P16083 1/20 0.52
RAB9A P51151 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL28511233 1.00 HTR1A (0.57) HTR1AHTR2BHTR2AHTR2CKDM4E
SCHEMBL30811407 1.00 HTR1A (0.57) HTR1AHTR2BHTR2AHTR2CKDM4E
SCHEMBL21309458 1.00 HTR1A (0.57) HTR1AHTR2BHTR2AHTR2CKDM4E
SCHEMBL30180917 1.00 HTR1A (0.57) HTR1AHTR2BHTR2AHTR2CKDM4E
SCHEMBL24702206 0.87 HTR1A (0.52) HTR1AHTR2BHTR2AHTR2CKDM4E
SCHEMBL21466568 0.87 HTR1A (0.52) HTR1AHTR2BHTR2AHTR2CKDM4E
SCHEMBL31725820 0.87 TACR1 (0.61) HTR1AHTR2BHTR2AHTR2CKDM4E
SCHEMBL21466805 0.87 HTR1A (0.52) HTR1AHTR2BHTR2AHTR2CKDM4E
SCHEMBL8939524 0.87 SCN9A (0.65) HTR1AHTR2BHTR2AHTR2CKDM4E
SCHEMBL31407794 0.87 SCN9A (0.65) HTR1AHTR2BHTR2AHTR2CKDM4E

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-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-06-27 US disclosed
US-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-06-27 US disclosed
EP-4371977-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-05-22 EP disclosed
CN-117813288-A Arylamino derivative estrogen receptor modulator and use thereof 西藏海思科制药有限公司 2024-04-02 CN disclosed
WO-2023284837-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF 四川海思科制药有限公司 2023-01-19 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-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF GPER1, ESR1, ESRRA HTR1A 304/4885HTR2B 360/4885HTR2A 421/4885

“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.