SCHEMBL6520150

SCHEMBL6520150

O=c1[nH]c2ccccc2n1CCCN1CCC([C@@H](O)c2ccc(F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.60
IDO1 P14902 1/20 0.58
P2RX7 Q99572 4/20 0.57
LMNA P02545 3/20 0.57
CYP2D6 P10635 3/20 0.57
MEN1 O00255 2/20 0.57
MLNR O43193 2/20 0.57
CYP1A2 P05177 2/20 0.57
CHRM2 P08172 2/20 0.57
CYP3A4 P08684 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
CHRM1 P11229 2/20 0.57
DRD2 P14416 2/20 0.57
ADRA2C P18825 2/20 0.57
SLC6A2 P23975 2/20 0.57
HTR2C P28335 2/20 0.57
AGTR1 P30556 2/20 0.57
SLC6A4 P31645 2/20 0.57
ADRA1A P35348 2/20 0.57
HRH1 P35367 2/20 0.57

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
SCHEMBL6520146 1.00 HTR2A (0.60) HTR2AIDO1P2RX7LMNACYP2D6
SCHEMBL6520157 1.00 HTR2A (0.60) HTR2AIDO1P2RX7LMNACYP2D6
SCHEMBL22738383 0.96 LMNA (0.58) HTR2AIDO1P2RX7LMNACYP2D6
SCHEMBL14271387 0.88 HTR2A (0.58) HTR2AP2RX7LMNACYP2D6MEN1
SCHEMBL1152298 0.83 P2RX7 (0.56) HTR2AIDO1P2RX7LMNACYP2D6
Hydrochloric Acid SCHEMBL11204771 0.83 LMNA (0.58) HTR2AP2RX7LMNACYP2D6MEN1
SCHEMBL9696448 0.83 P2RX7 (0.48) HTR2AP2RX7LMNACYP2D6MEN1
Hydrochloric Acid SCHEMBL11371006 0.82 LMNA (0.57) HTR2AP2RX7LMNACYP2D6MEN1
Hydrochloric Acid SCHEMBL11371000 0.82 LMNA (0.57) HTR2AP2RX7LMNACYP2D6MEN1
SCHEMBL431162 0.82 HTR2A (0.68) HTR2ALMNACYP2D6MEN1CYP1A2

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 7 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-20150150875-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS VM DISCOVERY, INC. 2015-06-04 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

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 HTR2A 606/4885IDO1 4379/4885P2RX7 199/4885
US-20150150875-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A HTR2A 606/4885IDO1 4379/4885P2RX7 199/4885
US-20160318930-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A HTR2A 606/4885IDO1 4379/4885P2RX7 199/4885
US-20110053960-A1 METHOD FOR TREATING PAIN SYNDROME AND OTHER DISORDERS CACNA1G, CACNA1H, CACNA1A HTR2A 606/4885IDO1 4379/4885P2RX7 199/4885

“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.