SCHEMBL6522324

SCHEMBL6522324

Cc1nc2ccc(O)cn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.76
CYP2D6 P10635 4/20 0.76
CYP3A4 P08684 3/20 0.76
MAPT P10636 3/20 0.76
TSHR P16473 3/20 0.76
KDM4E B2RXH2 3/20 0.76
MEN1 O00255 2/20 0.76
HTR1A P08908 2/20 0.76
PKM P14618 2/20 0.76
PMP22 Q01453 2/20 0.76
KMT2A Q03164 2/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
HPGD P15428 1/20 0.76
THPO P40225 1/20 0.76
HTR2A P28223 9/20 0.53
HTR7 P34969 5/20 0.53
HTR6 P50406 5/20 0.53
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 2/20 0.48

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
Metrenperone SCHEMBL2109868 0.92 HTR2C (0.77) HTR2CCYP2D6CYP3A4MAPTTSHR
SCHEMBL6527939 0.86 HTR2C (0.77) HTR2CCYP2D6CYP3A4MAPTTSHR
Pirenperone SCHEMBL467209 0.86 HTR2C (1.00) HTR2CCYP2D6CYP3A4MAPTTSHR
Pirenperone SCHEMBL10965711 0.85 HTR2C (0.98) HTR2CCYP2D6CYP3A4MAPTTSHR
Pirenperone SCHEMBL10970070 0.83 HTR2C (0.93) HTR2CCYP2D6CYP3A4MAPTTSHR
Pirenperone SCHEMBL10967003 0.83 HTR2C (0.93) HTR2CCYP2D6CYP3A4MAPTTSHR
Pirenperone SCHEMBL11242425 0.81 CYP2D6 (0.89) HTR2CCYP2D6CYP3A4MAPTTSHR
SCHEMBL10919317 0.81 HTR2C (0.73) HTR2CCYP2D6CYP3A4MAPTTSHR
SCHEMBL17532707 0.79 CYP2D6 (0.86) HTR2CCYP2D6CYP3A4MAPTTSHR
SCHEMBL10967011 0.78 CYP2D6 (0.86) HTR2CCYP2D6CYP3A4MAPTTSHR

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3106166-B1 COMPOUNDS FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM THERAPEUTICS LLC (US) 2020-12-02 EP disclosed
EP-3106166-B1 COMPOUNDS FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM THERAPEUTICS LLC (US) 2020-12-02 EP disclosed
US-9834555-B2 Method for treating pain syndrome and other disorders VM Therapeutics LLC. (US) 2017-12-05 US disclosed
US-9834555-B2 Method for treating pain syndrome and other disorders VM Therapeutics LLC. (US) 2017-12-05 US disclosed
EP-3106166-A1 COMPOUNDS FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM Therapeutics LLC (US) 2016-12-21 EP disclosed
EP-3106166-A1 COMPOUNDS FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM Therapeutics LLC (US) 2016-12-21 EP disclosed
US-20160318930-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM THERAPEUTICS LLC (US) 2016-11-03 US disclosed
US-20160318930-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM THERAPEUTICS LLC (US) 2016-11-03 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-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-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-8865727-B2 Method for treating pain syndrome and other disorders VM THERAPEUTICS LLC (US) 2014-10-21 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
US-20110053960-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM DISCOVERY INC. (US) 2011-03-03 US disclosed
US-20110053960-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM DISCOVERY INC. (US) 2011-03-03 US disclosed
WO-2009108798-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM DISCOVERY INC. (US) 2009-09-03 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-20140378476-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A HTR2C 981/4885CYP2D6 3702/4885CYP3A4 4426/4885
US-20160318930-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A HTR2C 981/4885CYP2D6 3702/4885CYP3A4 4426/4885
US-20110053960-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A HTR2C 981/4885CYP2D6 3702/4885CYP3A4 4426/4885

“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.