SCHEMBL19852299

SCHEMBL19852299

COc1ccccc1OC1CCN(CC2CCc3cc(C#N)ccc32)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
HRH3 Q9Y5N1 5/20 0.41
SIGMAR1 Q99720 3/20 0.40
GPR6 P46095 3/20 0.39
CYP11B2 P19099 2/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
FFAR1 O14842 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 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
SCHEMBL19852300 0.84 HTR7 (0.47) SIGMAR1HTR1ADRD2
SCHEMBL19838788 0.82 HRH3 (0.51) PPARDPPARAHRH3SIGMAR1GPR6
SCHEMBL19852181 0.77 CCR3 (0.49) HRH3SIGMAR1
SCHEMBL19852302 0.77 MTNR1A (0.43) SIGMAR1HTR1ADRD2DRD4
SCHEMBL19852175 0.76 HRH3 (0.57) HRH3SIGMAR1
SCHEMBL19838784 0.73 HRH3 (0.51) HRH3SIGMAR1GPR6DRD2DRD3
SCHEMBL25619737 0.71 LMNA (0.50) SIGMAR1HTR1ADRD2
SCHEMBL2693669 0.71 HRH3 (0.61) HRH3GPR6CYP11B2
SCHEMBL523610 0.71 HRH3 (0.61) HRH3GPR6CYP11B2
SCHEMBL19852004 0.70 KCNH2 (0.55) SIGMAR1HTR1ADRD2ADRA1AADRA1B

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 PPARD 4644/4885PPARA 4643/4885HRH3 2732/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C PPARD 4644/4885PPARA 4643/4885HRH3 2732/4885

“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.