SCHEMBL19877141

SCHEMBL19877141

C#Cc1ccc(C(=O)NCCN2CCCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ CYP2C9 P11712 1/20 0.68
▸ ALDH1A1 P00352 3/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ DRD2 P14416 3/20 0.63
▸ DRD4 P21917 3/20 0.63
▸ DRD3 P35462 3/20 0.63
▸ GLA P06280 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ POLB P06746 1/20 0.60
▸ HPGD P15428 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ CD274 Q9NZQ7 1/20 0.54
▸ EPHX2 P34913 1/20 0.54
▸ CA12 O43570 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ HDAC2 Q92769 1/20 0.53

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
SCHEMBL19878395 0.92 DRD2 (0.60) CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1
SCHEMBL19891111 0.90 DRD2 (0.61) CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1
SCHEMBL19891370 0.84 DRD2 (0.68) CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1
SCHEMBL3642214 0.84 CYP1A2 (0.65) CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1
SCHEMBL4488723 0.82 CYP1A2 (0.76) CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1
SCHEMBL1512655 0.81 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1
SCHEMBL14329888 0.81 ALDH1A1 (0.94) CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1
SCHEMBL29605727 0.81 CYP1A2 (0.74) CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1
SCHEMBL3401326 0.81 CYP1A2 (0.74) CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1
SCHEMBL10195008 0.81 NPSR1 (0.94) CYP1A2CYP2D6CYP2C9ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4722208-A1 NOVEL BENZAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2026-04-08 — — EP disclosed
EP-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 — — EP disclosed
US-20250084039-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 2025-03-13 — — US disclosed
EP-4011882-B1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 2025-03-05 — — EP disclosed
WO-2024246764-A1 NOVEL BENZAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-12-05 — — WO disclosed
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
EP-4011882-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES Purdue Research Foundation (US) 2022-06-15 — — EP disclosed
EP-4011882-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES Purdue Research Foundation (US) 2022-06-15 — — EP disclosed
US-20210198208-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 2021-07-01 — — US disclosed
US-20210198208-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 2021-07-01 — — US disclosed
US-11001559-B2 4-substituted aminoisoquinoline derivatives PURDUE RESEARCH FOUNDATION (US) 2021-05-11 — — US disclosed
US-11001559-B2 4-substituted aminoisoquinoline derivatives PURDUE RESEARCH FOUNDATION (US) 2021-05-11 — — US disclosed
EP-3496717-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES Purdue Research Foundation (US) 2019-06-19 — — EP disclosed
US-20190177278-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 2019-06-13 — — US disclosed
US-20190177278-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 2019-06-13 — — US disclosed
WO-2018035072-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 2018-02-22 — — WO disclosed
WO-2018035072-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES PURDUE RESEARCH FOUNDATION (US) 2018-02-22 — — 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-20190177278-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES MCL1, ABL1, FLT3 CYP1A2 847/4885CYP2D6 1137/4885CYP2C9 2107/4885
US-11001559-B2 4-substituted aminoisoquinoline derivatives MCL1, ABL1, FLT3 CYP1A2 847/4885CYP2D6 1137/4885CYP2C9 2107/4885
US-20210198208-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES MCL1, ABL1, FLT3 CYP1A2 847/4885CYP2D6 1137/4885CYP2C9 2107/4885
US-20250084039-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES MCL1, ABL1, FLT3 CYP1A2 847/4885CYP2D6 1137/4885CYP2C9 2107/4885

“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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