SCHEMBL24077253

SCHEMBL24077253

COc1ccc2cc(-c3nnc(CN4CCC(Cc5ccccc5)CC4)[nH]3)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPC1 O15118 1/20 0.56
GRIN1 Q05586 3/20 0.50
GRIN2B Q13224 3/20 0.50
THRB P10828 1/20 0.50
POLB P06746 1/20 0.49
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
APP P05067 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
HTR1A P08908 2/20 0.46
SLC6A4 P31645 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
SCHEMBL30381638 1.00 MEN1 (0.56) MEN1KMT2ANPC1GRIN1GRIN2B
SCHEMBL30381107 0.93 MEN1 (0.56) MEN1KMT2ANPC1GRIN1GRIN2B
SCHEMBL24077252 0.93 MEN1 (0.56) MEN1KMT2ANPC1GRIN1GRIN2B
SCHEMBL24077240 0.90 GRIN1 (0.48) MEN1KMT2ANPC1GRIN1GRIN2B
SCHEMBL24076669 0.89 SLC6A2 (0.51) MEN1KMT2ANPC1GRIN1GRIN2B
SCHEMBL24076613 0.88 THRB (0.58) MEN1KMT2AGRIN1GRIN2BTHRB
SCHEMBL24077242 0.86 GRIN2B (0.60) MEN1KMT2AGRIN1GRIN2BTHRB
SCHEMBL24077250 0.86 GRIN1 (0.53) MEN1KMT2AGRIN1GRIN2BTHRB
SCHEMBL30381318 0.86 GRIN1 (0.53) MEN1KMT2AGRIN1GRIN2BTHRB
SCHEMBL24076660 0.83 GRIN1 (0.58) MEN1KMT2ANPC1GRIN1GRIN2B

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 4 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
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 MEN1 2231/4885KMT2A 2075/4885NPC1 570/4885

“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.