SCHEMBL1162983

SCHEMBL1162983

COc1c(F)ccc2c1c(CCO)cn2C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.39
NQO2 P16083 2/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HTR2C P28335 8/20 0.36
HTR2A P28223 7/20 0.36
HTR2B P41595 6/20 0.36
HTR6 P50406 1/20 0.35
HTR1D P28221 3/20 0.34
HTR1A P08908 1/20 0.34
SPR P35270 1/20 0.31
MEP1B Q16820 1/20 0.31

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
SCHEMBL12596196 0.84 ADRB2 (0.38) ADRB2NQO2MTNR1AMTNR1BHTR2C
SCHEMBL12559326 0.83 HTR2A (0.39) HTR2CHTR2AHTR6
SCHEMBL13592835 0.83 HTR6 (0.53) ADRB2HTR2CHTR2AHTR2BHTR6
Hydrochloric Acid SCHEMBL3790913 0.82 HTR6 (0.52) ADRB2HTR2CHTR2AHTR2BHTR6
SCHEMBL16286333 0.81 HRH3 (0.45) ADRB2HTR2CHTR2AHTR6HTR1D
SCHEMBL1163551 0.81 AKR1C3 (0.42) NQO2MTNR1AMTNR1B
SCHEMBL1163535 0.80 HASPIN (0.35) HTR2CHTR2AHTR2B
SCHEMBL1163641 0.78 SLC6A4 (0.40) ADRB2HTR2CHTR2AHTR6HTR1D
SCHEMBL1163045 0.77 ADRB2 (0.43) ADRB2NQO2MTNR1AMTNR1BHTR2A
SCHEMBL1163367 0.77 MTNR1A (0.36) ADRB2NQO2MTNR1AMTNR1B

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 15 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-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
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
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
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 ADRB2 613/4885NQO2 228/4885MTNR1A 65/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT ADRB2 613/4885NQO2 228/4885MTNR1A 65/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT ADRB2 613/4885NQO2 228/4885MTNR1A 65/4885

“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.