SCHEMBL13948754

SCHEMBL13948754

C[C@H]1CCc2cc(Br)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.49
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
HTR2B P41595 2/20 0.46
SLC6A4 P31645 4/20 0.41
PNMT P11086 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
KDM1A O60341 2/20 0.40
CAMK2A Q9UQM7 1/20 0.39
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SLC6A2 P23975 1/20 0.37
ASIC3 Q9UHC3 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36

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
SCHEMBL25831640 1.00 SRD5A1 (0.49) SRD5A1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL10024954 1.00 SRD5A1 (0.49) SRD5A1HTR2AHTR2CHTR2BSLC6A4
Acetic Acid SCHEMBL27787883 0.90 SRD5A1 (0.46) SRD5A1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL12270104 0.89 HTR2C (0.44) SRD5A1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL24593559 0.84 HTR2A (0.64) SRD5A1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL3364642 0.84 HTR2A (0.64) SRD5A1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL13487595 0.81 SRD5A1 (0.47) SRD5A1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL14487997 0.79 KDM1A (0.50) SRD5A1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL413401 0.78 SRD5A1 (0.47) SRD5A1HTR2AHTR2CHTR2BSLC6A4
SCHEMBL3988329 0.78 SRD5A1 (0.46) SRD5A1HTR2AHTR2CHTR2BSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149549-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-05-18 US disclosed
US-20180079755-A1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 US disclosed
US-9802938-B2 Sulfamoylating reagents MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-20150353555-A9 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-12-10 US disclosed
US-20150080573-A1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-03-19 US disclosed
US-8933225-B2 Process for the synthesis of E1 activating enzyme inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-20090036678-A1 Process for the synthesis of E1 activating enzyme inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-02-05 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-20150353555-A9 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS SULT1E1, SULT1A1, ALDH18A1 SRD5A1 41/4885HTR2A 4181/4885HTR2C 3891/4885
US-20230149549-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 SRD5A1 4008/4885HTR2A 3362/4885HTR2C 3913/4885
US-20090036678-A1 Process for the synthesis of E1 activating enzyme inhibitors SULT1E1, SULT1A1, ALDH18A1 SRD5A1 41/4885HTR2A 4181/4885HTR2C 3891/4885
US-20150080573-A1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS SULT1E1, SULT1A1, ALDH18A1 SRD5A1 41/4885HTR2A 4181/4885HTR2C 3891/4885
US-20180079755-A1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS SULT1E1, SULT1A1, ALDH18A1 SRD5A1 38/4885HTR2A 4150/4885HTR2C 3829/4885

“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.