SCHEMBL21292935

SCHEMBL21292935

COc1ccc2[nH]cc(CC(C)NC(=O)O)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.63
HTR1A P08908 2/20 0.63
KDM4E B2RXH2 2/20 0.63
HTR2A P28223 1/20 0.63
HTR2C P28335 1/20 0.63
KMT2A Q03164 3/20 0.59
MTNR1A P48039 6/20 0.58
MTNR1B P49286 4/20 0.57
CYP2D6 P10635 2/20 0.57
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A1 P04798 1/20 0.57
MPO P05164 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
HPGD P15428 1/20 0.57
NQO2 P16083 1/20 0.57
RAB9A P51151 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57

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
SCHEMBL21292933 1.00 HTR2B (0.63) HTR2BHTR1AKDM4EHTR2AHTR2C
SCHEMBL27220752 1.00 HTR2B (0.63) HTR2BHTR1AKDM4EHTR2AHTR2C
SCHEMBL29641571 0.88 HTR1A (0.60) HTR2BHTR1AKDM4EHTR2AHTR2C
SCHEMBL27427367 0.85 HTR1A (0.57) HTR2BHTR1AKDM4EHTR2AHTR2C
SCHEMBL30180917 0.85 HTR1A (0.57) HTR2BHTR1AKDM4EHTR2AHTR2C
SCHEMBL28511233 0.85 HTR1A (0.57) HTR2BHTR1AKDM4EHTR2AHTR2C
SCHEMBL21309458 0.85 HTR1A (0.57) HTR2BHTR1AKDM4EHTR2AHTR2C
SCHEMBL30811407 0.85 HTR1A (0.57) HTR2BHTR1AKDM4EHTR2AHTR2C
SCHEMBL12039376 0.84 KDM4E (0.67) HTR2BHTR1AKDM4EHTR2AHTR2C
SCHEMBL19766755 0.84 KDM4E (0.67) HTR2BHTR1AKDM4EHTR2AHTR2C

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-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
US-20230039846-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2023-02-09 US disclosed
US-20190263802-A1 COMPOUNDS AND METHOD OF USE MOLECULAR SKIN THERAPEUTICS, INC. 2019-08-29 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-20240208932-A1 ARYLAMINO DERIVATIVE ESTROGEN RECEPTOR MODULATOR AND USE THEREOF GPER1, ESR1, ESRRA HTR2B 360/4885HTR1A 304/4885KDM4E 707/4885
US-20230039846-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 HTR2B 3242/4885HTR1A 4288/4885KDM4E 2312/4885
US-20190263802-A1 COMPOUNDS AND METHOD OF USE AIFM2, GPX4, GPX1 HTR2B 3252/4885HTR1A 4154/4885KDM4E 2426/4885

“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.