SCHEMBL1307947

SCHEMBL1307947

NCCN1CCN(c2ccccn2)CC1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.64
POLB P06746 1/20 0.64
HTR1A P08908 6/20 0.60
DRD4 P21917 5/20 0.60
DRD2 P14416 4/20 0.60
HTR2A P28223 4/20 0.60
HTR7 P34969 4/20 0.60
DRD3 P35462 4/20 0.60
ADRA2C P18825 2/20 0.57
DRD1 P21728 2/20 0.57
DRD5 P21918 2/20 0.57
HRH1 P35367 2/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
HTR2C P28335 1/20 0.55
ALDH1A1 P00352 1/20 0.54

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 SCHEMBL2516709 0.98 KCNH2 (0.62) KCNH2POLBHTR1ADRD4DRD2
SCHEMBL6989330 0.90 KCNH2 (0.69) KCNH2POLBHTR1ADRD4DRD2
SCHEMBL13711971 0.90 KCNH2 (0.71) KCNH2POLBHTR1ADRD4DRD2
SCHEMBL3674703 0.89 KCNH2 (0.72) KCNH2POLBHTR1ADRD4DRD2
Propylamine SCHEMBL28972661 0.88 KCNH2 (0.58) KCNH2POLBHTR1ADRD4DRD2
Hydrochloric Acid SCHEMBL3812906 0.88 KCNH2 (0.70) KCNH2POLBHTR1ADRD4DRD2
SCHEMBL26107525 0.85 KCNH2 (0.85) KCNH2POLBHTR1ADRD4DRD2
SCHEMBL4519313 0.85 KCNH2 (0.85) KCNH2POLBHTR1ADRD4DRD2
SCHEMBL26108725 0.85 KCNH2 (0.85) KCNH2POLBHTR1ADRD4DRD2
Hydrochloric Acid SCHEMBL11060044 0.83 POLB (0.64) KCNH2POLBHTR1ADRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971600-B1 ISOXAZOLE DERIVATIVES AND USE THEREOF SK BIOPHARMACEUTICALS CO LTD (KR) 2013-08-21 EP claimed
US-20090131336-A1 Isoxazole Derivatives and Use Thereof SK BIOPHARMACEUTICALS CO., LTD. (KR) 2009-05-21 US claimed
US-20220265669-A1 COMPOUNDS USEFUL FOR INHIBITING RAF DIMERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-08-25 US disclosed
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 US disclosed
EP-2074083-B1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-06-19 EP disclosed
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053457-B2 3-imidazolyl-indoles for the treatment of proliferative diseases NOVARTIS AG (CH) 2011-11-08 US disclosed
US-6613901-B2 For therapy and prophylaxis of neuropsychochological disorders such as schizophrenia and other central nervous system diseases NEUROGEN CORPORATION 2003-09-02 US disclosed
US-20020143019-A1 2-aminoalkylaminoquinolines as dopamine D4 ligands NEUROGEN CORPORATION 2002-10-03 US disclosed
US-6313141-B1 FOR THERAPY OF SCHIZOPHRENIA, PSYCHOTIC DEPRESSION, MANIA, PARKINSON'S DISEASE AND TARDIVE DISKINESIA NEUROGEN CORPORATION 2001-11-06 US disclosed
EP-1117663-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2001-07-25 EP disclosed
EP-0991642-A1 2-AMINOALKYLAMINOQUINOLINES AS DOPAMINE D4 LIGANDS NEUROGEN CORPORATION (US) 2000-04-12 EP disclosed
WO-2000018767-A2 2-PIPERAZINO ALKYLAMINO BENZOAZOLE DERIVATIVES: DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 2000-04-06 WO disclosed
US-5972945-A FOR TREATING PSYCHOTIC DISORDERS SUCH AS SCHIZOPHRENIA AND OTHER CENTRAL NERVOUS SYSTEM DISEASES NEUROGEN CORPORATION (US) 1999-10-26 US disclosed
WO-1998056786-A1 2-AMINOALKYLAMINOQUINOLINES AS DOPAMINE D4 LIGANDS NEUROGEN CORPORATION (US) 1998-12-17 WO disclosed
US-4529728-A 1H,3H-pyrrolo[1,2-c]thiazole derivatives having anti-allergic and anti-inflammatory activity RHONE-POULENC SANTE (FR) 1985-07-16 US 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 (5 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 KCNH2 4582/4885POLB 1502/4885HTR1A 792/4885
US-20020143019-A1 2-aminoalkylaminoquinolines as dopamine D4 ligands SLC6A3, DRD4, ADRA2C KCNH2 108/4885POLB 4356/4885HTR1A 44/4885
US-20220265669-A1 COMPOUNDS USEFUL FOR INHIBITING RAF DIMERS BRAF, RAF1, NRAS KCNH2 2753/4885POLB 2536/4885HTR1A 4279/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 KCNH2 4582/4885POLB 1502/4885HTR1A 792/4885
US-20090131336-A1 Isoxazole Derivatives and Use Thereof WNT3A, WNT1, WNT3 KCNH2 3845/4885POLB 3327/4885HTR1A 1491/4885

“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.