SCHEMBL606857

SCHEMBL606857

CN1CCN(c2cnc3ccccc3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 1.00
HTR3A P46098 5/20 1.00
NPC1 O15118 6/20 0.71
RAB9A P51151 6/20 0.71
MAPT P10636 5/20 0.71
ALDH1A1 P00352 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
NFKB1 P19838 2/20 0.71
NFKB2 Q00653 2/20 0.71
RELA Q04206 2/20 0.71
GAA P10253 1/20 0.71
HPGD P15428 1/20 0.71
HTT P42858 1/20 0.71
MET P08581 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
KDM4E B2RXH2 2/20 0.63
KMT2A Q03164 2/20 0.63
LMNA P02545 1/20 0.63
MEN1 O00255 1/20 0.63
HTR3E A5X5Y0 1/20 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
SCHEMBL7693429 0.85 HTR3A (0.74) HRH4HTR3ANPC1RAB9AMAPT
SCHEMBL29832295 0.84 NPC1 (0.72) HRH4HTR3ANPC1RAB9AMAPT
SCHEMBL31184151 0.84 NPC1 (0.72) HRH4HTR3ANPC1RAB9AMAPT
SCHEMBL1713999 0.82 NPC1 (0.70) HRH4HTR3ANPC1RAB9AMAPT
SCHEMBL3552442 0.82 NPC1 (0.70) HRH4HTR3ANPC1RAB9AMAPT
SCHEMBL13648853 0.82 HRH4 (0.69) HRH4HTR3ANPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL3975778 0.81 HRH4 (0.68) HRH4HTR3ANPC1RAB9AMAPT
SCHEMBL15963196 0.81 MAPT (0.69) HRH4HTR3ANPC1RAB9AMAPT
SCHEMBL29104545 0.80 HTR3A (0.67) HRH4HTR3ANPC1RAB9AALDH1A1
SCHEMBL13035351 0.80 HTR3A (0.67) HRH4HTR3ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016293-A1 Quinazolines and Related Heterocyclic Compounds, and Their Therapeutic Use VERENIGING VOOR CHRISTELIJK, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2010-01-21 US claimed
EP-2044027-A2 FUSED BICYCLIC COMPOUNDS INTERACTING WITH THE HISTAMINE H4 RECEPTOR Vereniging voor christelijk hoger onderwijs, wetenschappelijk onderzoek en patiëntenzorg (NL) 2009-04-08 EP claimed
WO-2008003702-A2 FUSED BICYCLIC COMPOUNDS INTERACTING WITH THE HISTAMINE H4 RECEPTOR VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2008-01-10 WO claimed
EP-3148543-B1 SMALL MOLECULE TRANSCRIPTION MODULATORS OF BROMODOMAINS ICAHN SCHOOL MED MOUNT SINAI (US) 2020-04-08 EP disclosed
US-10195195-B2 Selective histamine H4 receptor antagonists for the treatment of vestibular disorders INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2019-02-05 US disclosed
EP-3378476-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS Sensorion (FR) 2018-09-26 EP disclosed
US-10065951-B2 Small molecule transcription modulators of bromodomains ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2018-09-04 US disclosed
US-9688989-B2 H4 receptor inhibitors for treating tinnitus SENSORION (FR) 2017-06-27 US disclosed
US-20170107218-A1 Small Molecule Transcription Modulators of Bromodomains NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-20 US disclosed
EP-3148543-A2 SMALL MOLECULE TRANSCRIPTION MODULATORS OF BROMODOMAINS Icahn School of Medicine at Mount Sinai (US) 2017-04-05 EP disclosed
US-20170056397-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-03-02 US disclosed
WO-2010072829-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-07-01 WO disclosed
US-20100168098-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-01 US disclosed
US-20100016293-A1 Quinazolines and Related Heterocyclic Compounds, and Their Therapeutic Use VERENIGING VOOR CHRISTELIJK, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2010-01-21 US disclosed
EP-1915378-A4 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2009-07-22 EP disclosed
EP-2044027-A2 FUSED BICYCLIC COMPOUNDS INTERACTING WITH THE HISTAMINE H4 RECEPTOR Vereniging voor christelijk hoger onderwijs, wetenschappelijk onderzoek en patiëntenzorg (NL) 2009-04-08 EP disclosed
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed
EP-1915378-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-04-30 EP disclosed
WO-2008003702-A2 FUSED BICYCLIC COMPOUNDS INTERACTING WITH THE HISTAMINE H4 RECEPTOR VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2008-01-10 WO disclosed
WO-2007019674-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 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-20100168098-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, POLR2E HRH4 3398/4885HTR3A 4833/4885NPC1 751/4885
US-20170107218-A1 Small Molecule Transcription Modulators of Bromodomains NFRKB, NFKBIA, RELA HRH4 2925/4885HTR3A 2264/4885NPC1 3148/4885
US-20100016293-A1 Quinazolines and Related Heterocyclic Compounds, and Their Therapeutic Use HRH4, HRH3, HRH2 HRH4 1/4885HTR3A 137/4885NPC1 1830/4885
US-10065951-B2 Small molecule transcription modulators of bromodomains NFRKB, NFKBIA, RELA HRH4 2925/4885HTR3A 2264/4885NPC1 3148/4885

“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.