SCHEMBL19852013

SCHEMBL19852013

c1cnc(OC2CCN(CC3Cc4cccnc4C3)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
HTR7 P34969 1/20 0.41
OPRL1 P41146 6/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
DRD2 P14416 1/20 0.39
KCNH2 Q12809 3/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
OPRK1 P41145 2/20 0.37
OPRM1 P35372 1/20 0.37
HTR1A P08908 1/20 0.36
OGA O60502 1/20 0.36
EPHX2 P34913 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2J2 P51589 1/20 0.35

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
SCHEMBL19838591 0.85 HTR7 (0.44) SIGMAR1HTR7OPRL1HTR2AHTR2C
SCHEMBL19852154 0.84 OPRK1 (0.44) SIGMAR1HTR7HTR2AHTR2CKCNH2
SCHEMBL19852164 0.84 SIGMAR1 (0.44) SIGMAR1HTR7OPRL1HTR2AHTR2C
Hydrochloric Acid SCHEMBL19839881 0.84 HTR7 (0.43) SIGMAR1HTR7OPRL1HTR2AHTR2C
SCHEMBL21072474 0.84 OPRL1 (0.47) SIGMAR1HTR7OPRL1HTR2AHTR2C
SCHEMBL19852012 0.82 HRH3 (0.54) SIGMAR1HTR7KCNH2HRH1CCR3
SCHEMBL19852464 0.81 GPR6 (0.41) SIGMAR1HTR7OPRL1HTR2AHTR2C
SCHEMBL19852421 0.81 HTR2A (0.43) HTR7OPRL1HTR2AHTR2CDRD2
SCHEMBL19852153 0.79 OPRK1 (0.41) SIGMAR1HTR7KCNH2HRH1CCR3
SCHEMBL19852467 0.76 PDE4D (0.42) SIGMAR1HTR7HTR2AHTR2CDRD2

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 SIGMAR1 612/4885HTR7 112/4885OPRL1 60/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C SIGMAR1 612/4885HTR7 112/4885OPRL1 60/4885

“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.