SCHEMBL1163260

SCHEMBL1163260

CN(C)CCc1cn(Cc2ccc3ccccc3c2)c2c(F)ccc(O)c12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.43
HTR2C P28335 5/20 0.43
HTR6 P50406 7/20 0.42
HTR1A P08908 1/20 0.41
HTR2B P41595 2/20 0.40
CHRM1 P11229 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
F10 P00742 1/20 0.35

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
SCHEMBL1163325 0.87 HTR6 (0.52) HTR2AHTR2CHTR6HTR1AHTR2B
SCHEMBL1163178 0.83 HTR6 (0.54) HTR2AHTR2CHTR6HTR1AHTR2B
SCHEMBL1163695 0.82 HTR2A (0.42) HTR2AHTR6
SCHEMBL3176741 0.78 HTR2A (0.60) HTR2AHTR2CHTR6HTR1AHTR2B
SCHEMBL1163702 0.78 HTR2A (0.44) HTR2AHTR2CHTR6HTR1AHTR2B
SCHEMBL3173096 0.76 HTR2A (0.53) HTR2AHTR2CHTR6HTR1AHTR2B
SCHEMBL3182797 0.76 HTR2A (0.64) HTR2AHTR2CHTR6HTR1AHTR2B
SCHEMBL3176986 0.74 HTR2A (0.63) HTR2AHTR2CHTR6HTR1AHTR2B
SCHEMBL3177851 0.74 HTR1A (0.47) HTR2AHTR2CHTR6HTR1AHTR2B
SCHEMBL3184470 0.73 HTR2A (0.64) HTR2AHTR2CHTR6HTR1AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464227-A1 COMPOUNDS AND METHODS OF USE THEREOF Galenea Corporation (US) 2012-06-20 EP claimed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 US claimed
WO-2011019738-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2011-02-17 WO claimed
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 HTR2A 34/4885HTR2C 27/4885HTR6 12/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2A 34/4885HTR2C 27/4885HTR6 12/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2A 34/4885HTR2C 27/4885HTR6 12/4885

“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.