SCHEMBL22801955

SCHEMBL22801955

CC(C)[Si](C(C)C)(C(C)C)n1cc(Br)c2ccc(N3CCNCC3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 3/20 0.39
▸ HTR3B O95264 3/20 0.39
▸ HTR3A P46098 3/20 0.39
▸ HTR3D Q70Z44 3/20 0.39
▸ HTR3C Q8WXA8 3/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ADRB1 P08588 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HSD17B10 Q99714 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
SCHEMBL21274104 0.76 MAP4K4 (0.46) ALDH1A1HTT
SCHEMBL21815418 0.68 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16020173 0.67 — —
Hydrochloric Acid SCHEMBL15515817 0.66 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9317924 0.66 HTR3A (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL414164 0.65 ELANE (0.42) ALDH1A1KDM4EUSP2HTTTDP1
SCHEMBL2875379 0.64 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15025087 0.64 PDGFRA (0.35) HTT
SCHEMBL15261329 0.62 PIM1 (0.57) —
SCHEMBL3299921 0.61 HTR3A (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives EVOTEC (UK) LTD (GB) 2020-12-24 — — US disclosed
CN-112105357-A Pharmaceutically acceptable 6,5 heterobicyclic derivatives UCB生物制药有限责任公司 2020-12-18 — — CN 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-20200399268-A1 Pharmaceutical 6,5 Heterobicyclic Ring Derivatives STING1, IRF3, NFATC1 HTR3E 2189/4885HTR3B 1388/4885HTR3A 3352/4885

“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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