SCHEMBL775116

SCHEMBL775116

NCc1cccc(Cl)c1N

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.67
DPP4 P27487 2/20 0.54
TAAR1 Q96RJ0 4/20 0.48
IDO1 P14902 5/20 0.42
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39
NR4A2 P43354 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3675893 0.83 PNMT (0.50) PNMTDPP4TAAR1IDO1TSHR
SCHEMBL42705 0.80 PNMT (1.00) PNMTDPP4TAAR1IDO1TSHR
SCHEMBL102804 0.79 PNMT (0.46) PNMTTAAR1IDO1ALDH1A1
SCHEMBL17057967 0.79 IDO1 (0.60) PNMTDPP4TAAR1IDO1TSHR
SCHEMBL1694942 0.79 PNMT (0.46) PNMTDPP4TAAR1IDO1CYP1A2
SCHEMBL775115 0.79 PNMT (0.46) PNMTDPP4TAAR1IDO1TSHR
SCHEMBL13887580 0.79 PNMT (0.46) PNMTDPP4TAAR1IDO1TSHR
SCHEMBL30962862 0.79 PNMT (0.46) PNMTTAAR1IDO1ALDH1A1
SCHEMBL638587 0.78 PNMT (0.46) PNMTDPP4TAAR1IDO1CYP3A4
Hydrochloric Acid SCHEMBL9035217 0.78 PNMT (0.95) PNMTDPP4TAAR1IDO1CYP1A2

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101203244-A Compositions of rennin inhibitor and insulin secernent or insulin sensitizer NOVARTIS AG (CH) 2008-06-18 CN claimed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN claimed
US-12558341-B2 Oral complement factor D inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2026-02-24 US disclosed
US-20250186391-A1 ORAL COMPLEMENT FACTOR D INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-06-12 US disclosed
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
CN-116568675-A Cyclic isothiourea derivatives as CXCR4 modulators 埃尔米乌治疗公司 2023-08-08 CN disclosed
EP-4217353-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS Ermium Therapeutics (FR) 2023-08-02 EP disclosed
EP-3964509-B1 COMPOUND CONTAINING FUSED RING, USE THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME NANJING HEPO PHARMACEUTICAL CO LTD (CN) 2023-06-14 EP disclosed
US-11661420-B2 Compound containing fused ring, use thereof and pharmaceutical composition containing same NANJING HEPO PHARMACEUTICAL CO., LTD (CN) 2023-05-30 US disclosed
US-11661420-B2 Compound containing fused ring, use thereof and pharmaceutical composition containing same NANJING HEPO PHARMACEUTICAL CO., LTD (CN) 2023-05-30 US disclosed
EP-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2014-03-06 US disclosed
CN-102600162-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2012-07-25 CN disclosed
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-03-22 US disclosed
US-20110287111-A1 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2011-11-24 US disclosed
CN-101980709-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2011-02-23 CN disclosed
CN-101669952-A Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC 2010-03-17 CN disclosed
CN-101203244-A Compositions of rennin inhibitor and insulin secernent or insulin sensitizer NOVARTIS AG (CH) 2008-06-18 CN disclosed
CN-101163504-A Combination therapy XENON PHARMACEUTICALS INC (CA) 2008-04-16 CN disclosed
EP-1348707-A1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy Ustav Experimentalni Botaniky AV CR (Institute of Experimental Botany Academy of Sciences of the Czech Republic) (CZ) 2003-10-01 EP 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 (7 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-20110287111-A1 SUBSTITUTED 6-(2-AMINOBENZYLAMINO)PURINE DERIVATIVES, THEIR USE AS MEDICAMENTS AND PREPARATIONS CONTAINING THESE COMPOUNDS CDK6, CCNI, CDK2 PNMT 885/4885DPP4 413/4885TAAR1 3246/4885
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives PNP, NUDT1, TYMP PNMT 3253/4885DPP4 1632/4885TAAR1 4462/4885
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives CD38, NUDT1, PNP PNMT 3425/4885DPP4 1464/4885TAAR1 4434/4885
US-12558341-B2 Oral complement factor D inhibitors CFD, CFH, CFB PNMT 4585/4885DPP4 1386/4885TAAR1 3914/4885
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 PNMT 4798/4885DPP4 3718/4885TAAR1 2787/4885
US-20250186391-A1 ORAL COMPLEMENT FACTOR D INHIBITORS CFD, CFH, CFB PNMT 4702/4885DPP4 1004/4885TAAR1 4838/4885
US-11661420-B2 Compound containing fused ring, use thereof and pharmaceutical composition containing same HLA-B, HLA-A, SLC10A1 PNMT 4629/4885DPP4 2492/4885TAAR1 4183/4885

“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.