SCHEMBL1163504

SCHEMBL1163504

Cn1cc(CCO[Si](C)(C)C(C)(C)C)c2c(O)c(F)ccc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.34
HTR2A P28223 6/20 0.34
HTR2B P41595 6/20 0.34
HTR1D P28221 3/20 0.33
HTR1A P08908 1/20 0.33
DUT P33316 2/20 0.33
ADRB2 P07550 1/20 0.30
NQO2 P16083 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30

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
SCHEMBL1162938 0.80 KDM1A (0.34) HTR1A
SCHEMBL12874836 0.76 HTR2C (0.34) HTR2CHTR2AHTR2BHTR1DHTR1A
SCHEMBL3804932 0.72 HTR2C (0.63) HTR2CHTR2AHTR2BHTR1DHTR1A
SCHEMBL9091856 0.72 HTR1D (0.43) HTR2AHTR1DDUTADRB2NQO2
SCHEMBL9093086 0.71 HTR1D (0.42) HTR2AHTR1DDUTADRB2NQO2
SCHEMBL7734845 0.70 HTR1D (0.41) HTR1DDUTADRB2NQO2MTNR1A
SCHEMBL1245422 0.68 TAAR1 (0.44) DUT
SCHEMBL22070791 0.67 APLNR (0.39) DUT
SCHEMBL1163286 0.67 KMT2A (0.41) HTR2CHTR2AHTR2BNQO2MTNR1A
SCHEMBL4299690 0.66 HTR2A (0.35) HTR2CHTR2AHTR2BDUT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US disclosed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 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 (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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2C 27/4885HTR2A 34/4885HTR2B 31/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2C 27/4885HTR2A 34/4885HTR2B 31/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2C 27/4885HTR2A 34/4885HTR2B 31/4885

“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.