SCHEMBL21144746

SCHEMBL21144746

CC(C)N1CCc2ncccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 13/20 0.60
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ IDH1 O75874 1/20 0.39
▸ HTR1A P08908 2/20 0.38
▸ HTR2A P28223 2/20 0.38
▸ DRD2 P14416 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
SCHEMBL9259799 0.84 NPC1 (0.48) GRM5NPC1TP53MAPTRAB9A
SCHEMBL30056291 0.84 NPC1 (0.48) GRM5NPC1TP53MAPTRAB9A
SCHEMBL30684899 0.79 GRM5 (0.57) GRM5NPC1TP53MAPTRAB9A
SCHEMBL18743043 0.79 GRM5 (0.57) GRM5NPC1TP53MAPTRAB9A
SCHEMBL6124130 0.77 GRM5 (0.42) GRM5SMN1; SMN2KCNH2HTR1AHTR2A
SCHEMBL19069631 0.76 GRM5 (0.43) GRM5
SCHEMBL29847259 0.76 GRM5 (0.41) GRM5NPC1TP53MAPTRAB9A
SCHEMBL21341848 0.75 NPC1 (0.46) GRM5NPC1TP53MAPTRAB9A
SCHEMBL25596768 0.75 HTR1A (0.45) GRM5KCNH2HTR1AHTR2ADRD2
SCHEMBL29846973 0.74 GRM5 (0.38) GRM5NPC1TP53MAPTRAB9A

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 2 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-20190194163-A1 DUAL NAV1.2/5HT2a INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2019-06-27 — — 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 (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 GRM5 239/4885NPC1 567/4885TP53 4757/4885
US-11186564-B2 Dual NAV1.2/5HT2a inhibitors for treating CNS disorders SCN2A, HTR2A, HTR2C GRM5 239/4885NPC1 567/4885TP53 4757/4885

“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.

Send feedback