SCHEMBL24077271

SCHEMBL24077271

Oc1ccc2[nH]c(-c3nnc(CN4CCC(Cc5ccccc5)CC4)[nH]3)cc2c1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 10/20 0.66
▸ GRIN2B Q13224 10/20 0.66
▸ GRIN2D O15399 2/20 0.55
▸ GRIN3B O60391 2/20 0.55
▸ GRIN2A Q12879 2/20 0.55
▸ GRIN2C Q14957 2/20 0.55
▸ GRIN3A Q8TCU5 2/20 0.55
▸ CCR3 P51677 1/20 0.45
▸ MAP2K7 O14733 1/20 0.45

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
SCHEMBL24076660 0.89 GRIN1 (0.58) GRIN1GRIN2BCCR3
SCHEMBL30380988 0.89 GRIN1 (0.58) GRIN1GRIN2BCCR3
SCHEMBL24077242 0.89 GRIN2B (0.60) GRIN1GRIN2BGRIN2ACCR3
SCHEMBL24077277 0.88 GRIN1 (0.53) GRIN1GRIN2BCCR3
SCHEMBL30381244 0.88 GRIN1 (0.53) GRIN1GRIN2BCCR3
SCHEMBL30381307 0.88 ALDH1A1 (0.55) GRIN1GRIN2BCCR3
SCHEMBL24077247 0.88 ALDH1A1 (0.55) GRIN1GRIN2BCCR3
SCHEMBL24075931 0.88 MEN1 (0.54) GRIN1GRIN2BCCR3
SCHEMBL24077243 0.88 GRIN1 (0.53) GRIN1GRIN2BCCR3
SCHEMBL24075942 0.88 GRIN2B (0.52) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116057053-B 5-Membered heteroaryl derivatives containing at least one N and pharmaceutical compositions containing the same as active ingredient for preventing or treating mental disorders 特立尼奥公司 2024-12-31 — — CN claimed
CN-116057053-A 5-membered heteroaryl derivatives containing at least one N and pharmaceutical compositions containing the same as active ingredient for preventing or treating mental disorders 大邱庆北尖端医疗产业振兴财团 2023-05-02 — — CN claimed
CN-116057053-B 5-Membered heteroaryl derivatives containing at least one N and pharmaceutical compositions containing the same as active ingredient for preventing or treating mental disorders 特立尼奥公司 2024-12-31 — — CN disclosed
US-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT TRINEURO (KR) 2023-07-06 — — US disclosed
CN-116057053-A 5-membered heteroaryl derivatives containing at least one N and pharmaceutical compositions containing the same as active ingredient for preventing or treating mental disorders 大邱庆北尖端医疗产业振兴财团 2023-05-02 — — CN disclosed
WO-2021241982-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT 재단법인 대구경북첨단의료산업진흥재단 2021-12-02 — — 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 (1 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-20230212144-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT HTR5A, HTR2C, TPH1 GRIN1 185/4885GRIN2B 149/4885GRIN2D 82/4885

“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.

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