SCHEMBL19891358

SCHEMBL19891358

C#Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 9/20 0.62
▸ DRD4 P21917 9/20 0.62
▸ DRD3 P35462 9/20 0.62
▸ LMNA P02545 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ GAA P10253 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ HDAC2 Q92769 1/20 0.60
▸ HDAC8 Q9BY41 1/20 0.60
▸ HDAC6 Q9UBN7 1/20 0.60
▸ RAD52 P43351 1/20 0.56
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ TSHR P16473 1/20 0.52

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
SCHEMBL19891111 0.90 DRD2 (0.61) DRD2DRD4DRD3LMNAALDH1A1
SCHEMBL19878395 0.88 DRD2 (0.60) DRD2DRD4DRD3LMNAALDH1A1
SCHEMBL19891193 0.86 TSHR (0.71) DRD2DRD4DRD3ALDH1A1SMN1; SMN2
SCHEMBL178534 0.84 KMT2A (0.71) DRD2DRD3LMNAALDH1A1MAPT
SCHEMBL19891463 0.83 DRD2 (0.59) DRD2DRD4DRD3LMNAALDH1A1
SCHEMBL16227646 0.82 ALDH1A1 (0.69) DRD2DRD4DRD3LMNAALDH1A1
SCHEMBL19226707 0.82 SMN1; SMN2 (0.92) DRD2DRD3LMNAALDH1A1MAPT
SCHEMBL12074931 0.81 LMNA (0.92) DRD2DRD3LMNAALDH1A1MAPT
SCHEMBL12132533 0.81 LMNA (0.64) DRD2DRD4DRD3LMNAALDH1A1
SCHEMBL19877141 0.80 CYP1A2 (0.68) DRD2DRD4DRD3ALDH1A1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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 DRD2 1863/4885DRD4 1351/4885DRD3 2570/4885
US-11001559-B2 4-substituted aminoisoquinoline derivatives MCL1, ABL1, FLT3 DRD2 1863/4885DRD4 1351/4885DRD3 2570/4885
US-20210198208-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES MCL1, ABL1, FLT3 DRD2 1863/4885DRD4 1351/4885DRD3 2570/4885
US-20250084039-A1 4-SUBSTITUTED AMINOISOQUINOLINE DERIVATIVES MCL1, ABL1, FLT3 DRD2 1863/4885DRD4 1351/4885DRD3 2570/4885

“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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