SCHEMBL19852154

SCHEMBL19852154

COc1cccc(OC2CCN(CC3Cc4cccnc4C3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.42
CCR3 P51677 4/20 0.41
HRH1 P35367 3/20 0.41
KCNH2 Q12809 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
HTR1A P08908 2/20 0.41
MCHR1 Q99705 1/20 0.40
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL19852153 0.88 OPRK1 (0.41) OPRK1HTR7CCR3HRH1KCNH2
SCHEMBL19852013 0.84 SIGMAR1 (0.42) OPRK1HTR2AHTR2CHTR7CCR3
SCHEMBL19852164 0.83 SIGMAR1 (0.44) HTR2AHTR2CHTR7SIGMAR1HTR1A
SCHEMBL19838591 0.82 HTR7 (0.44) HTR2AHTR2CHTR7CCR3HRH1
Hydrochloric Acid SCHEMBL19839881 0.81 HTR7 (0.43) HTR2AHTR2CHTR7CCR3HRH1
SCHEMBL19852012 0.79 HRH3 (0.54) HTR7CCR3HRH1KCNH2SIGMAR1
SCHEMBL21072474 0.79 OPRL1 (0.47) HTR2AHTR2CHTR7KCNH2SIGMAR1
SCHEMBL19852421 0.78 HTR2A (0.43) HTR2AHTR2CHTR7CCR3HRH1
SCHEMBL19852467 0.77 PDE4D (0.42) HTR2AHTR2CHTR7SIGMAR1
SCHEMBL19852464 0.74 GPR6 (0.41) HTR2AHTR2CHTR7CCR3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SUNOVION PHARMACEUTICALS INC. (US) 2021-11-30 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
US-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 US disclosed
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 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 (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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SCN2A, HTR2A, HTR2C OPRK1 116/4885HTR2A 2/4885HTR2C 3/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C OPRK1 116/4885HTR2A 2/4885HTR2C 3/4885

“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.