SCHEMBL6518635

SCHEMBL6518635

Cc1ccc2nc(C)c(CCN3CCC([C@H](O)c4ccc(F)cc4)CC3)c(=O)n2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
HTR2C P28335 5/20 0.54
CYP2D6 P10635 5/20 0.54
TSHR P16473 4/20 0.54
MAPT P10636 3/20 0.54
CYP3A4 P08684 3/20 0.54
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 2/20 0.54
HTR1A P08908 2/20 0.54
PKM P14618 2/20 0.54
PMP22 Q01453 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 1/20 0.54
THPO P40225 1/20 0.54
HTR2A P28223 7/20 0.53
HTR7 P34969 3/20 0.53
HTR6 P50406 2/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47

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
SCHEMBL6518624 1.00 ACHE (0.54) ACHEHTR2CCYP2D6TSHRMAPT
SCHEMBL6518627 1.00 ACHE (0.54) ACHEHTR2CCYP2D6TSHRMAPT
SCHEMBL16351780 0.94 ADRA1A (0.49) ACHEHTR2CCYP2D6TSHRMAPT
SCHEMBL16351779 0.94 ADRA1A (0.49) ACHEHTR2CCYP2D6TSHRMAPT
SCHEMBL16351773 0.94 ADRA1A (0.49) ACHEHTR2CCYP2D6TSHRMAPT
SCHEMBL6523807 0.87 ACHE (0.71) ACHEHTR2CCYP2D6TSHRMAPT
SCHEMBL6523805 0.87 ACHE (0.71) ACHEHTR2CCYP2D6TSHRMAPT
SCHEMBL6523816 0.87 ACHE (0.71) ACHEHTR2CCYP2D6TSHRMAPT
SCHEMBL6527978 0.85 HTR2A (0.50) ACHEHTR2CCYP2D6TSHRMAPT
SCHEMBL6527975 0.85 HTR2A (0.50) ACHEHTR2CCYP2D6TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834555-B2 Method for treating pain syndrome and other disorders VM Therapeutics LLC. (US) 2017-12-05 US disclosed
US-20160318930-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM THERAPEUTICS LLC (US) 2016-11-03 US disclosed
US-9402848-B2 Method for treating pain syndrome and other disorders VM THERAPEUTICS LLC (US) 2016-08-02 US disclosed
US-9402848-B2 Method for treating pain syndrome and other disorders VM THERAPEUTICS LLC (US) 2016-08-02 US disclosed
US-20150150875-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM DISCOVERY, INC. 2015-06-04 US disclosed
US-20150150875-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM DISCOVERY, INC. 2015-06-04 US disclosed
US-8980900-B2 Method for treating pain syndrome and other disorders VM Therapeutics, LLC. (US) 2015-03-17 US disclosed
US-8980900-B2 Method for treating pain syndrome and other disorders VM Therapeutics, LLC. (US) 2015-03-17 US disclosed
US-20140378476-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM DISCOVERY, INC. 2014-12-25 US disclosed
US-8865727-B2 Method for treating pain syndrome and other disorders VM THERAPEUTICS LLC (US) 2014-10-21 US disclosed
US-20110053960-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM DISCOVERY INC. (US) 2011-03-03 US disclosed
CN-101970427-A Methods of treating pain symptoms and other disorders VM DISCOVERY INC 2011-02-09 CN 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 (4 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-20140378476-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A ACHE 289/4885HTR2C 981/4885CYP2D6 3702/4885
US-20150150875-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A ACHE 289/4885HTR2C 981/4885CYP2D6 3702/4885
US-20160318930-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A ACHE 289/4885HTR2C 981/4885CYP2D6 3702/4885
US-20110053960-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A ACHE 289/4885HTR2C 981/4885CYP2D6 3702/4885

“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.