SCHEMBL1163480

SCHEMBL1163480

CCCn1cc(CCN(C)c2cccc(C)n2)c2c(O)c(F)ccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.44
HTR2C P28335 9/20 0.44
HTR2B P41595 6/20 0.44
HTR6 P50406 2/20 0.35
ICMT O60725 1/20 0.35
HTR1A P08908 1/20 0.32
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
F2 P00734 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
SCHEMBL1163142 0.89 HTR2C (0.46) HTR2AHTR2CHTR2BHTR6HTR1A
SCHEMBL3804482 0.81 HTR2C (0.57) HTR2AHTR2CHTR2BHTR6ICMT
SCHEMBL1163482 0.78 SMN1; SMN2 (0.43) HTR2AHTR2CHTR2BICMTCNR1
SCHEMBL17943811 0.77 HTR2A (0.41) HTR2AHTR2CHTR2BHTR6ICMT
SCHEMBL3808377 0.71 HTR2A (0.65) HTR2AHTR2CHTR2BHTR6HTR1A
SCHEMBL13592813 0.68 HTR2A (0.85) HTR2AHTR2CHTR2BHTR6HTR1A
SCHEMBL13592841 0.67 HTR6 (0.57) HTR2AHTR2CHTR2BHTR6ICMT
SCHEMBL3804932 0.66 HTR2C (0.63) HTR2AHTR2CHTR2BHTR6HTR1A
Hydrochloric Acid SCHEMBL3803145 0.66 HTR6 (0.56) HTR2AHTR2CHTR2BHTR6ICMT
SCHEMBL13592836 0.66 HTR6 (0.50) HTR2AHTR2CHTR2BHTR6ICMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US claimed
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-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
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
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 27/4885HTR2B 31/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2A 34/4885HTR2C 27/4885HTR2B 31/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2A 34/4885HTR2C 27/4885HTR2B 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.