SCHEMBL6606828

SCHEMBL6606828

COc1cc([N+](=O)[O-])ccc1N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
MAPT P10636 4/20 0.60
LMNA P02545 3/20 0.60
MAPK1 P28482 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTR6 P50406 2/20 0.57
HTT P42858 2/20 0.55
HTR3E A5X5Y0 3/20 0.54
HTR3B O95264 3/20 0.54
HTR3A P46098 3/20 0.54
HTR3D Q70Z44 3/20 0.54
HTR3C Q8WXA8 3/20 0.54
ADRB1 P08588 2/20 0.54
CYP2C19 P33261 2/20 0.54
DRD2 P14416 1/20 0.54
DRD3 P35462 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
SIRT6 Q8N6T7 1/20 0.54
HTR7 P34969 1/20 0.51
CYP1A2 P05177 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
SCHEMBL31267415 1.00 ALDH1A1 (0.60) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL1613091 0.89 HTR6 (0.66) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL26464993 0.88 ALDH1A1 (0.51) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL8715563 0.88 HTR6 (0.65) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL3258618 0.88 HTR6 (0.65) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL1928415 0.87 ALDH1A1 (0.64) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL30306152 0.86 GAA (0.64) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL3175637 0.86 GAA (0.64) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL28531881 0.84 MAPT (0.61) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2
SCHEMBL29556577 0.84 ALDH1A1 (0.64) ALDH1A1MAPTLMNAMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203042-A1 COMPOUNDS AND THEIR USES AS SPLEEN TYROSINE KINASE INHIBITORS NANJING RUIJIE PHARMA CO., LTD. (CN) 2023-06-29 US disclosed
EP-2938608-B1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD BURNHAM MED RES INST (US) 2021-08-04 EP disclosed
US-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 US disclosed
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 US disclosed
EP-2938608-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford-Burnham Medical Research Institute (US) 2015-11-04 EP disclosed
WO-2014100501-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-26 WO disclosed
WO-2013188856-A1 IMIDAZOPYRAZINE SYK INHIBITORS GILEAD CONNECTICUT, INC. (US) 2013-12-19 WO disclosed
US-20130338142-A1 IMIDAZOPYRAZINE SYK INHIBITORS Kronos Bio, Inc. 2013-12-19 US disclosed
EP-0729455-B1 INDOLE-DERIVED AZYLPIPERAZINES AS LIGANDS FOR 5HT1-LIKE RECEPTORS 5HT1B AND 5HT1D PF MEDICAMENT (FR) 2004-09-08 EP disclosed
US-20040063686-A1 Carboxamide compounds and their use as antagonists of a human 11cby receptor JOHNSON CHRISTOPHER NORBERT (GB) 2004-04-01 US disclosed
EP-0796251-B1 URACIL DERIVATIVES BYK GULDEN LOMBERG CHEM FAB (DE) 2001-10-17 EP disclosed
US-6271234-B1 DERIVATIVES WHICH BIND TO SEROTONERGIC RECEPTORS; TREATING DISORDERS OF THE LOWER URINARY TRACT RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2001-08-07 US disclosed
EP-1000045-A1 1,4-DISUBSTITUTED PIPERAZINES RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2000-05-17 EP disclosed
US-6046329-A Uracil derivatives BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-04-04 US disclosed
WO-1999006382-A1 1,4-DISUBSTITUTED PIPERAZINES RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1999-02-11 WO disclosed
US-5726177-A HEADACHES; ANXIOLYTIC AGENTS, ANTIDEPRESSANTS, ANALGESICS PIERRE FABRE MEDICAMENT (FR) 1998-03-10 US disclosed
EP-0796251-A1 URACIL DERIVATIVES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1997-09-24 EP disclosed
EP-0729455-A1 INDOLE-DERIVED AZYLPIPERAZINES AS LIGANDS FOR 5HT1-LIKE RECEPTORS 5HT1B AND 5HT1D PIERRE FABRE MEDICAMENT (FR) 1996-09-04 EP disclosed
WO-1996017831-A1 URACIL DERIVATIVES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-06-13 WO disclosed
WO-1995014004-A1 INDOLE-DERIVED AZYLPIPERAZINES AS LIGANDS FOR 5HT1-LIKE RECEPTORS 5HT1B AND 5HT1D PIERRE FABRE MEDICAMENT (FR) 1995-05-26 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-20130338142-A1 IMIDAZOPYRAZINE SYK INHIBITORS SYK, ZAP70, BTK ALDH1A1 4243/4885MAPT 3992/4885LMNA 4727/4885
US-20040063686-A1 Carboxamide compounds and their use as antagonists of a human 11cby receptor CNR1, GPR3, CCKAR ALDH1A1 1692/4885MAPT 4260/4885LMNA 2527/4885
US-20230203042-A1 COMPOUNDS AND THEIR USES AS SPLEEN TYROSINE KINASE INHIBITORS SYK, BTK, LCK ALDH1A1 2839/4885MAPT 4522/4885LMNA 4829/4885
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 ALDH1A1 3294/4885MAPT 2152/4885LMNA 3727/4885

“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.