SCHEMBL27220751

SCHEMBL27220751

CC(N)Cc1c[nH]c2cc(C(F)(F)F)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.59
HTR2C P28335 5/20 0.59
HTR2B P41595 4/20 0.59
HTR1A P08908 3/20 0.59
HTR1D P28221 2/20 0.59
HTR1B P28222 2/20 0.59
ADRB1 P08588 1/20 0.59
ADRA2A P08913 1/20 0.59
SLC6A2 P23975 1/20 0.59
HTR1E P28566 1/20 0.59
SLC6A4 P31645 1/20 0.59
HTR7 P34969 1/20 0.59
HTR6 P50406 1/20 0.59
SLC6A3 Q01959 1/20 0.59
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
NFKB1 P19838 1/20 0.54
CYP2C19 P33261 1/20 0.54
TBXAS1 P24557 1/20 0.51

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
SCHEMBL27220749 1.00 HTR2A (0.59) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL27220709 0.90 HTR2A (0.68) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL27220705 0.90 HTR2A (0.68) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL3184412 0.90 TBXAS1 (0.52) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL1768423 0.82 KMT2A (0.61) HTR2AHTR2CHTR2BHTR1ASLC6A4
SCHEMBL1768425 0.82 KMT2A (0.61) HTR2AHTR2CHTR2BHTR1ASLC6A4
SCHEMBL30317386 0.82 KMT2A (0.61) HTR2AHTR2CHTR2BHTR1ASLC6A4
SCHEMBL12327114 0.81 TBXAS1 (0.56) CYP1A2TBXAS1ALDH1A1MAPT
SCHEMBL17027156 0.81 TBXAS1 (0.56) HTR2ACYP1A2TBXAS1ALDH1A1
Hydrochloric Acid SCHEMBL28739154 0.81 KMT2A (0.60) HTR2AHTR2CHTR2BHTR1ASLC6A4

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 2 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

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 316/4885HTR2B 360/4885

“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.