SCHEMBL24076799

SCHEMBL24076799

c1ccc(CC2CCN(Cc3nnc(-c4cc5ccccc5[nH]4)o3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 5/20 0.52
▸ GRIN1 Q05586 3/20 0.52
▸ LMNA P02545 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ CCR3 P51677 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ GRIN2A Q12879 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL24076620 0.89 CHEK1 (0.44) GRIN2BGRIN1LMNAMAPK1CCR3
SCHEMBL24077242 0.80 GRIN2B (0.60) GRIN2BGRIN1CCR3ALDH1A1CHEK1
SCHEMBL20508261 0.76 RAB9A (0.55) MAPK1ALDH1A1CHEK1L3MBTL1TSHR
SCHEMBL20508260 0.75 QPCT (0.50) CHEK1L3MBTL1TSHR
SCHEMBL24077244 0.73 ALDH1A1 (0.53) GRIN2BGRIN1CCR3ALDH1A1CHEK1
SCHEMBL30301437 0.71 ALDH1A1 (0.54) GRIN2BGRIN1CCR3ALDH1A1CHEK1
SCHEMBL25787876 0.71 ALDH1A1 (0.54) GRIN2BGRIN1CCR3ALDH1A1CHEK1
SCHEMBL20508257 0.71 GUSB (0.48) ALDH1A1CHEK1MAPTKDM4EMEN1
SCHEMBL24076660 0.71 GRIN1 (0.58) GRIN2BGRIN1CCR3ALDH1A1MAPT
SCHEMBL30380988 0.71 GRIN1 (0.58) GRIN2BGRIN1CCR3ALDH1A1MAPT

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-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
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 GRIN2B 149/4885GRIN1 185/4885LMNA 1962/4885

“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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