SCHEMBL6208554

SCHEMBL6208554

NCC1(c2ccc(Br)cc2)CCCC1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.64
SLC6A3 Q01959 15/20 0.63
SLC6A4 P31645 12/20 0.63
SLC6A2 P23975 4/20 0.59
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
TAAR1 Q96RJ0 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
SCHEMBL6209805 0.98 SLC6A3 (0.67) DPP4SLC6A3SLC6A4SLC6A2
SCHEMBL24510661 0.98 SLC6A3 (0.67) DPP4SLC6A3SLC6A4SLC6A2
SCHEMBL24509676 0.96 DPP4 (0.59) DPP4SLC6A3SLC6A4SLC6A2MAOA
SCHEMBL987779 0.91 MAOA (0.61) DPP4SLC6A3SLC6A4SLC6A2MAOA
SCHEMBL10577936 0.81 DPP4 (0.67) DPP4SLC6A3SLC6A4SLC6A2MAOA
SCHEMBL7888175 0.79 SLC6A3 (0.96) DPP4SLC6A3SLC6A4SLC6A2
SCHEMBL8350789 0.79 DPP4 (0.64) DPP4SLC6A3SLC6A4SLC6A2MAOA
SCHEMBL2636952 0.79 ALDH1A1 (0.46) DPP4SLC6A3SLC6A4SLC6A2
SCHEMBL5495766 0.79 SLC6A3 (0.96) DPP4SLC6A3SLC6A4SLC6A2
SCHEMBL294582 0.78 DPP4 (1.00) DPP4SLC6A3SLC6A4SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4261211-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2023-10-18 EP disclosed
WO-2022122037-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF 上海奕拓医药科技有限责任公司 2022-06-16 WO disclosed
US-20050234096-A1 Tetrahydroisoquinoline derivatives BAYER HEALTHCARE AG (DE) 2005-10-20 US disclosed
EP-1507763-A1 TETRAHYDROISOQUINOLINE DERIVATIVES Bayer HealthCare AG (DE) 2005-02-23 EP disclosed
WO-2003097607-A1 TETRAHYDROISOQUINOLINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-11-27 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 (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-20050234096-A1 Tetrahydroisoquinoline derivatives PPARD, PPARG, PPARA DPP4 267/4885SLC6A3 3645/4885SLC6A4 3525/4885

“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.