SCHEMBL17541808

SCHEMBL17541808

COc1ccc2c(c1)CN(c1ccc(=O)n(C)n1)C2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 2/20 0.48
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ DRD1 P21728 3/20 0.41
▸ DRD5 P21918 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ROCK2 O75116 4/20 0.39
▸ METAP1 P53582 2/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL17541791 0.84 GRM5 (0.40) TIPARP
SCHEMBL24667446 0.78 MCHR1 (0.33) TIPARPMAPTLMNA
SCHEMBL29987748 0.78 NPC1 (0.44) PDE3BPDE3ASMN1; SMN2METAP1
SCHEMBL24667588 0.78 NPC1 (0.44) PDE3BPDE3ASMN1; SMN2METAP1
SCHEMBL23562064 0.77 GRM5 (0.42) TIPARPDRD1DRD5HRH3
SCHEMBL3902560 0.70 DRD1 (0.65) DRD1DRD5MAPTLMNADRD2
SCHEMBL2900291 0.70 TIPARP (0.41) TIPARPMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL16637778 0.68 ROCK2 (0.53) TIPARPDRD1DRD5MAPTLMNA
SCHEMBL15880544 0.67 ESR1 (0.57) ESR1ESR2
SCHEMBL30677763 0.67 ESR1 (0.57) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036291-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2024-07-16 — — US disclosed
US-12036291-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2024-07-16 — — US disclosed
CN-118005611-A Probes for imaging huntingtin CHDI基金会股份有限公司 2024-05-10 — — CN disclosed
CN-107074817-B Probes for imaging huntingtin CHDI基金会股份有限公司 2023-12-15 — — CN disclosed
US-20210379211-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. 2021-12-09 — — US disclosed
US-11071793-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2021-07-27 — — US disclosed
EP-3186241-B1 PROBES FOR IMAGING HUNTINGTON PROTEIN CHDI FOUNDATION INC (US) 2020-10-07 — — EP disclosed
US-20170281804-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN EVOTEC (UK) LTD. (GB) 2017-10-05 — — US disclosed
US-20170281804-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN EVOTEC (UK) LTD. (GB) 2017-10-05 — — US disclosed
US-20170281804-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN EVOTEC (UK) LTD. (GB) 2017-10-05 — — US disclosed
EP-3186241-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2017-07-05 — — EP disclosed
WO-2016033436-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2016-03-03 — — 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 (4 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-20210379211-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 TIPARP 2113/4885PDE3B 4170/4885PDE3A 3875/4885
US-11071793-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 TIPARP 2113/4885PDE3B 4170/4885PDE3A 3875/4885
US-20170281804-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 TIPARP 2113/4885PDE3B 4170/4885PDE3A 3875/4885
US-12036291-B2 Probes for imaging huntingtin protein HTT, HYPK, HSPBP1 TIPARP 2113/4885PDE3B 4170/4885PDE3A 3875/4885

“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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