SCHEMBL22957172

SCHEMBL22957172

c1ccc(Cn2cc(N3CCNCC3)cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.50
▸ HTR3A P46098 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HTR3E A5X5Y0 1/20 0.50
▸ HTR3B O95264 1/20 0.50
▸ ADRB1 P08588 1/20 0.50
▸ HTR3D Q70Z44 1/20 0.50
▸ HTR3C Q8WXA8 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.48
▸ HTR2C P28335 1/20 0.46
▸ CETP P11597 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ DPP4 P27487 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ PIM1 P11309 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
Trifluoroacetic Acid SCHEMBL30282920 0.89 LMNA (0.45) SIGMAR1HTR3AL3MBTL1HTR3EHTR3B
SCHEMBL6672052 0.84 ADRB1 (0.54) HTR3AADRB1HTR2CHTR6HTR1A
SCHEMBL6283138 0.79 MEN1 (0.46) ADRB1LMNAUSP2HTR6HTR1A
SCHEMBL6668632 0.79 HDAC4 (0.40) ADRB1HTR2CLMNAHRH4HTR6
SCHEMBL22581853 0.75 HTR3E (0.61) SIGMAR1HTR3AHTR3EHTR3BADRB1
SCHEMBL27460680 0.75 L3MBTL1 (0.43) L3MBTL1LMNAPKMNPSR1USP2
SCHEMBL15554627 0.74 ALK (0.65) —
Phenylpiperazine SCHEMBL10745401 0.73 SIGMAR1 (0.79) SIGMAR1HTR3AHTR3EHTR3BADRB1
SCHEMBL27677663 0.73 SIGMAR1 (0.53) SIGMAR1HTR3AHTR3EHTR3BADRB1
SCHEMBL5573099 0.72 DRD4 (0.74) SIGMAR1HTR3AL3MBTL1HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023244764-A1 COMPOUNDS FOR THE TARGETED DEGRADATION OF SMARCA2 C4 THERAPEUTICS, INC. (US) 2023-12-21 — — WO disclosed
CN-110198938-B Bis-heteroaryl derivatives as modulators of protein aggregation UCB生物制药私人有限公司 2023-03-14 — — CN disclosed
US-10913735-B2 Bis-heteroaryl derivatives as modulators of protein aggregation UCB Biopharma SRL (BE) 2021-02-09 — — 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 (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-10913735-B2 Bis-heteroaryl derivatives as modulators of protein aggregation PARK7, HTT, SNCA SIGMAR1 4007/4885HTR3A 931/4885L3MBTL1 773/4885

“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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