SCHEMBL735189

SCHEMBL735189

NCCCc1c[nH]c2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 4/20 0.79
HTR2A P28223 3/20 0.79
CYP3A4 P08684 2/20 0.79
HTR2C P28335 2/20 0.79
CYP1A2 P05177 1/20 0.79
CYP2D6 P10635 1/20 0.79
CYP2A6 P11509 1/20 0.79
NFKB1 P19838 1/20 0.79
HTR1D P28221 1/20 0.79
HTR1B P28222 1/20 0.79
HTR7 P34969 1/20 0.79
CTSK P43235 1/20 0.79
HTR6 P50406 1/20 0.79
CYP2A13 Q16696 1/20 0.79
TAAR1 Q96RJ0 1/20 0.79
PMP22 Q01453 1/20 0.77
SSTR2 P30874 1/20 0.64
SSTR4 P31391 1/20 0.64
MC1R Q01726 2/20 0.64
SLC6A4 P31645 2/20 0.63

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
SCHEMBL29532652 1.00 MPO (0.79) MPOHTR2ACYP3A4HTR2CCYP1A2
Hydrochloric Acid SCHEMBL21546034 0.98 PMP22 (0.80) MPOHTR2ACYP3A4HTR2CCYP1A2
SCHEMBL1249795 0.95 MPO (0.77) MPOHTR2ACYP3A4HTR2CCYP1A2
SCHEMBL5991724 0.93 MPO (0.74) MPOHTR2ACYP3A4HTR2CCYP1A2
SCHEMBL2378418 0.93 MPO (0.74) MPOHTR2ACYP3A4HTR2CCYP1A2
SCHEMBL2378528 0.93 MPO (0.74) MPOHTR2ACYP3A4HTR2CCYP1A2
Tryptamine SCHEMBL26725 0.89 HTR2A (1.00) MPOHTR2ACYP3A4HTR2CCYP1A2
Tryptamine SCHEMBL8714244 0.89 HTR2A (1.00) MPOHTR2ACYP3A4HTR2CCYP1A2
Tryptamine SCHEMBL29373222 0.89 HTR2A (1.00) MPOHTR2ACYP3A4HTR2CCYP1A2
SCHEMBL7005718 0.88 HTR2A (0.71) MPOHTR2ACYP3A4HTR2CCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116133442-A Perovskite solar cell based on organic molecule modified lithium salt doped hole transport layer 陕西师范大学 2023-05-16 CN claimed
EP-2651888-B1 N-((1H-indol-3-yl)-alkyl)-4-benzyl)benzamide and N-((1H-pyrrolo[2,3-b]pyridin-3-yl)-alkyl)-4-benzyl)benzamide derivatives as alpha synuclein aggregation inhibitors for the treatment of neurodegenerative disorders UNIV LEUVEN KATH (BE) 2017-05-17 EP claimed
EP-2651887-B1 N-(2-(5-substituted-1H-indol-3-yl)ethyl)biphenyl-4-carboxamide derivatives and related compounds as Tau-aggregation induced toxicity inhibitors for the treatment of neurodegenerative disorders UNIV LEUVEN KATH (BE) 2016-08-24 EP claimed
US-9284271-B2 Compounds for the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2016-03-15 US claimed
US-9266832-B2 Compounds for the treatment of neurodegenerative diseases Katholieke Universiteit Levun (BE) 2016-02-23 US claimed
US-20130289033-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND (BE) 2013-10-31 US claimed
EP-2651887-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2013-10-23 EP claimed
EP-2651888-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2013-10-23 EP claimed
US-20130274260-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND (BE) 2013-10-17 US claimed
WO-2012080220-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-21 WO claimed
WO-2012080221-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-06-21 WO claimed
US-7754755-B2 e.g. N-[2-(1H-Indol-3-yl)-ethyl]-2-methyl-5-fluoro-benzenesulfonamide; N-[3-(4-Butyl-phenoxy)-propyl]-4-pentyl-benzenesulfonamide; useful for treating inflammatory disorder, atherosclerosis, diabetes, vascular restenosis, hypertension, asthma, rheumatoid arthritis, osteoarthritis, cancer BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US claimed
US-7470701-B2 Substituted 2,5-heterocyclic derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US claimed
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-10-16 US claimed
EP-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 EP claimed
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma CHIRON CORPORATION (US) 2005-11-17 US claimed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 WO claimed
EP-1163262-A1 PHENYLALANINE DERIVATIVES THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by THE SECRETARY of the DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-12-19 EP claimed
WO-2000056760-A1 PHENYLALANINE DERIVATIVES THE UNITED STATES OF AMERICA, REPRESENTED BY SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-09-28 WO claimed
US-3953442-A ANALGESICS, CENTRAL NERVOUS SYSTEM CLIN MIDY (FR) 1976-04-27 US claimed

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-20130274260-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, PSEN1 MPO 2269/4885HTR2A 1488/4885CYP3A4 3772/4885
US-20130289033-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, PSEN1 MPO 2227/4885HTR2A 1282/4885CYP3A4 3606/4885
US-20050256121-A1 e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma MALT1, AKT1, PIK3CA MPO 4512/4885HTR2A 3066/4885CYP3A4 1562/4885
US-20080255120-A1 SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES CYP3A5, ABCG2, ABCB1 MPO 2888/4885HTR2A 680/4885CYP3A4 14/4885

“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.