SCHEMBL6523129

SCHEMBL6523129

Cc1nc2n(c(=O)c1CCN1CCC(C(O)c3ccc(F)cc3)CC1)CCS2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.53
HTR2C P28335 6/20 0.53
HTR7 P34969 5/20 0.53
HTR6 P50406 3/20 0.47
MAPT P10636 4/20 0.46
CYP2D6 P10635 4/20 0.46
HTR1A P08908 3/20 0.43
TSHR P16473 3/20 0.43
PMP22 Q01453 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
CYP3A4 P08684 2/20 0.43
PKM P14618 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
THPO P40225 1/20 0.43
ACHE P22303 2/20 0.43
DRD2 P14416 5/20 0.41
ADRA2A P08913 3/20 0.41

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
SCHEMBL6523137 1.00 HTR2A (0.53) HTR2AHTR2CHTR7HTR6MAPT
SCHEMBL6523131 1.00 HTR2A (0.53) HTR2AHTR2CHTR7HTR6MAPT
SCHEMBL10922949 0.95 HTR2A (0.51) HTR2AHTR2CHTR7HTR6MAPT
SCHEMBL16561282 0.86 HTR2A (0.51) HTR2AHTR2CHTR7HTR6MAPT
SCHEMBL12794816 0.86 HTR2A (0.51) HTR2AHTR2CHTR7HTR6MAPT
SCHEMBL16561283 0.86 HTR2A (0.51) HTR2AHTR2CHTR7HTR6MAPT
SCHEMBL16561281 0.86 HTR2A (0.51) HTR2AHTR2CHTR7HTR6MAPT
SCHEMBL22738428 0.84 HTR2A (0.48) HTR2AHTR2CHTR7HTR6MAPT
Setoperone SCHEMBL122185 0.83 HTR2C (0.64) HTR2AHTR2CHTR7HTR6MAPT
SCHEMBL22738546 0.81 HTR2A (0.50) HTR2AHTR2CHTR7HTR6MAPT

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 32 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-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
EP-0070053-B1 NOVEL BICYCLIC PYRIMIDIN-5-ONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1986-04-16 EP disclosed
US-4548938-A PSYCHOTROPIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1985-10-22 US disclosed
US-4529727-A Pyrimido[2,1-b][1,3]-thiazines JANSSEN PHARMACEUTICAL, N.V. (BE) 1985-07-16 US disclosed
US-4443451-A PSYCHOTROPIC, ANTIHISTAMINES, ANTISEROTONINE JANSSEN PHARMACEUTICA N.V. (BE) 1984-04-17 US disclosed
EP-0070053-A2 Novel bicyclic pyrimidin-5-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-19 EP 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 (2 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-20160318930-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A HTR2A 606/4885HTR2C 981/4885HTR7 1284/4885
US-20110053960-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A HTR2A 606/4885HTR2C 981/4885HTR7 1284/4885

“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.