SCHEMBL27220697

SCHEMBL27220697

Cc1ccc2c(CC(C)N)c[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.66
HTR2C P28335 4/20 0.66
HTR1A P08908 3/20 0.66
HTR2B P41595 3/20 0.66
HTR1D P28221 2/20 0.66
HTR1B P28222 2/20 0.66
ADRB1 P08588 1/20 0.66
ADRA2A P08913 1/20 0.66
SLC6A2 P23975 1/20 0.66
HTR1E P28566 1/20 0.66
SLC6A4 P31645 1/20 0.66
HTR7 P34969 1/20 0.66
HTR6 P50406 1/20 0.66
SLC6A3 Q01959 1/20 0.66
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
NFKB1 P19838 1/20 0.59
CYP2C19 P33261 1/20 0.59
NR3C1 P04150 1/20 0.55

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
SCHEMBL24913225 1.00 HTR2A (0.66) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL30811419 0.89 HTR2A (0.70) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL1120488 0.89 HTR2A (0.70) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL24913231 0.89 HTR2A (0.70) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL13533551 0.88 HTR2A (0.61) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL4601805 0.84 HTR2A (0.57) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL5155794 0.84 HTR2A (0.57) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL5150887 0.84 HTR2A (0.57) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL15702024 0.83 HTR2A (0.55) HTR2AHTR2CHTR1AHTR2BHTR1D
SCHEMBL16975865 0.82 HTR2A (0.55) HTR2AHTR2CHTR1AHTR2BHTR1D

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 3 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
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

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 HTR2A 421/4885HTR2C 316/4885HTR1A 304/4885

“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.