SCHEMBL24077248

SCHEMBL24077248

Clc1ccc(CC2CCN(Cc3nnc(-c4cc5ccccc5[nH]4)[nH]3)CC2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 6/20 0.47
▸ GRIN2B Q13224 6/20 0.47
▸ CHEK1 O14757 1/20 0.46
▸ OPRM1 P35372 1/20 0.43
▸ CCR3 P51677 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ ATM Q13315 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ CHEK2 O96017 1/20 0.39

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
SCHEMBL24077244 0.90 ALDH1A1 (0.53) GRIN1GRIN2BCHEK1CCR3ALDH1A1
SCHEMBL25787876 0.89 ALDH1A1 (0.54) GRIN1GRIN2BCHEK1OPRM1CCR3
SCHEMBL30301437 0.89 ALDH1A1 (0.54) GRIN1GRIN2BCHEK1OPRM1CCR3
SCHEMBL24077242 0.88 GRIN2B (0.60) GRIN1GRIN2BCHEK1CCR3ALDH1A1
SCHEMBL28993214 0.88 GRIN2B (0.48) GRIN1GRIN2BCHEK1CHEK2
SCHEMBL30301444 0.88 GRIN1 (0.48) GRIN1GRIN2BCHEK1CCR3ALDH1A1
SCHEMBL24077241 0.88 GRIN1 (0.48) GRIN1GRIN2BCHEK1CCR3ALDH1A1
SCHEMBL30381063 0.88 GRIN2B (0.48) GRIN1GRIN2BCHEK1CHEK2
SCHEMBL25788418 0.84 THRB (0.44) GRIN1GRIN2BCCR3ATMCHEK2
SCHEMBL24076629 0.84 GRIN1 (0.53) GRIN1GRIN2BCCR3ALDH1A1ATM

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 7 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
EP-4159726-A1 5-MEMBERED HETEROARYL DERIVATIVE CONTAINING AT LEAST ONE N, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MENTAL DISORDERS, CONTAINING SAME AS ACTIVE INGREDIENT Daegu-Gyeongbuk Medical Innovation Foundation (KR) 2023-04-05 — — EP 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 149/4885CHEK1 4256/4885

“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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