SCHEMBL1450313

SCHEMBL1450313

NC(=O)c1ccccc1N1CCNCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.70
ADRB1 P08588 3/20 0.53
HTR6 P50406 8/20 0.49
HTR7 P34969 3/20 0.49
HTR1A P08908 2/20 0.49
HTR2A P28223 2/20 0.49
HTR5A P47898 2/20 0.49
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3A P46098 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
NCF1 P14598 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49

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
Hydrochloric Acid SCHEMBL27658727 0.98 NPC1 (0.68) NPC1ADRB1HTR6HTR7HTR1A
SCHEMBL5707829 0.86 ADRB1 (0.56) NPC1ADRB1HTR6HTR7HTR1A
SCHEMBL28713189 0.85 NPC1 (0.51) NPC1ADRB1HTR6HTR7HTR1A
SCHEMBL109882 0.84 ADRB1 (0.55) NPC1ADRB1HTR6HTR7HTR1A
SCHEMBL28715613 0.84 NPC1 (0.50) NPC1ADRB1HTR6HTR7HTR1A
SCHEMBL1742844 0.84 ADRB1 (0.59) NPC1ADRB1HTR6HTR7HTR1A
SCHEMBL21122344 0.84 ADRB1 (0.59) NPC1ADRB1HTR6HTR7HTR1A
SCHEMBL31565663 0.84 NPC1 (0.96) NPC1TSHRHSD17B10KDM4EALDH1A1
SCHEMBL3654065 0.84 NPC1 (0.96) NPC1TSHRHSD17B10KDM4EALDH1A1
SCHEMBL17009548 0.84 NPC1 (0.89) NPC1TSHRHSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240199679-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME FUTURE MEDICINE CO., LTD. (KR) 2024-06-20 US claimed
EP-4296273-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME Future Medicine Co., Ltd. (KR) 2023-12-27 EP claimed
CN-117083286-A Pair A 2A A is a 3 Adenosine derivatives having antagonism to adenosine receptor and process for preparing same 未来制药有限公司 2023-11-17 CN claimed
WO-2022203427-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME 퓨쳐메디신 주식회사 2022-09-29 WO claimed
CN-108863949-B Capsaicin receptor antagonist for treating chronic inflammatory pain and synthetic method 湖南博隽生物医药有限公司 2021-01-15 CN claimed
CN-111393380-A Capsaicin receptor antagonist for treating chronic inflammatory pain 湖南博隽生物医药有限公司 2020-07-10 CN claimed
EP-3125920-A2 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND OVARIAN CANCER Del Mar Pharmaceuticals (CA) 2017-02-08 EP claimed
CN-103655569-B N-(pyridin-4-yl) purposes of piperazine-1-Methanamide TIANJIN HONGRI PHARMACEUTICAL INDUSTRY CO., LTD. (CN) 2016-02-10 CN claimed
WO-2015154064-A2 USE OF DIANHYDROGALACTITOL AND ANALOGS OR DERIVATIVES THEREOF TO TREAT NON-SMALL-CELL CARCINOMA OF THE LUNG AND OVARIAN CANCER DEL MAR PHARMACEUTICALS (CA) 2015-10-08 WO claimed
US-7964605-B2 Phenyl piperazine compounds, pharmaceutical composition comprising the same, and use thereof SK HOLDINGS CO., LTD. (KR) 2011-06-21 US claimed
US-20090298851-A1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND USE THEREOF SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-12-03 US claimed
WO-2009145590-A2 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE THEREOF SK HOLDINGS CO., LTD. (KR) 2009-12-03 WO claimed
US-20250236608-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION 2025-07-24 US disclosed
US-20240245673-A1 Papain-like protease (PLpro) inhibitors PFIZER INC. (US) 2024-07-25 US disclosed
US-20240199679-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME FUTURE MEDICINE CO., LTD. (KR) 2024-06-20 US disclosed
WO-2024121779-A1 PAPAIN-LIKE PROTEASE (PLPRO) INHIBITORS PFIZER INC. (US) 2024-06-13 WO disclosed
EP-0809642-A1 IMIDAZO 1,2-A]PYRIDINES FOR THE TREATMENT OF CNS AND CARDIAC DISEASES PHARMACIA & UPJOHN COMPANY (US) 1997-12-03 EP disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 WO disclosed
EP-0737189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS PHARMACIA & UPJOHN COMPANY (US) 1996-10-16 EP disclosed
WO-1996025414-A1 IMIDAZO[1,2-A]PYRIDINES FOR THE TREATMENT OF CNS AND CARDIAC DISEASES PHARMACIA & UPJOHN COMPANY (US) 1996-08-22 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-20090298851-A1 PHENYL PIPERAZINE COMPOUNDS, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AND USE THEREOF GRIK5, PLP2, PMP22 NPC1 236/4885ADRB1 1434/4885HTR6 557/4885
US-20240245673-A1 Papain-like protease (PLpro) inhibitors PREP, PEPD, ACE NPC1 1614/4885ADRB1 3673/4885HTR6 3633/4885
US-20250236608-A1 EGFR INHIBITORS EGFR, ERBB2, ERBB3 NPC1 1417/4885ADRB1 3808/4885HTR6 3163/4885
US-20240199679-A1 ADENOSINE DERIVATIVE HAVING ANTAGONISTIC ACTION ON A2A AND A3 ADENOSINE RECEPTORS AND METHOD FOR PREPARING SAME ADORA2A, ADORA3, ADORA2B NPC1 2082/4885ADRB1 39/4885HTR6 55/4885

“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.