SCHEMBL404203

SCHEMBL404203

CN1CCN(c2nc3ccccc3nc2Cl)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 1.00
HTR3A P46098 5/20 1.00
HTR3B O95264 4/20 1.00
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HTR3E A5X5Y0 3/20 0.61
HTR3D Q70Z44 3/20 0.61
HTR3C Q8WXA8 3/20 0.61
HRH1 P35367 1/20 0.57
POLB P06746 1/20 0.57
HTR1A P08908 1/20 0.55
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55

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 SCHEMBL29694104 0.98 HRH4 (0.97) HRH4HTR3AHTR3BMEN1KMT2A
SCHEMBL29268331 0.94 HRH4 (0.88) HRH4HTR3AHTR3BMEN1KMT2A
SCHEMBL14513387 0.91 HRH4 (0.83) HRH4HTR3AHTR3BMEN1KMT2A
SCHEMBL5774076 0.84 HRH4 (0.72) HRH4HTR3AHTR3B
SCHEMBL5772481 0.84 HRH4 (0.72) HRH4HTR3AHTR3B
SCHEMBL404202 0.83 HRH4 (0.70) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL27661218 0.83 HRH4 (0.70) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL30223251 0.83 HRH4 (0.73) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL405806 0.83 HRH4 (0.73) HRH4HTR3AHTR3BHTR3EHTR3D
SCHEMBL24970254 0.82 HRH4 (0.69) HRH4HTR3AHTR3BMEN1KMT2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12281301-B2 Sequencing-based proteomics THE BROAD INSTITUTE, INC. (US) 2025-04-22 US disclosed
US-20220244263-A1 METHODS FOR TREATING SMALL CELL NEUROENDOCRINE AND RELATED CANCERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-08-04 US disclosed
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
CN-1886389-B Quinoxaline compounds JANSSEN PHARMACEUTICA NV 2010-07-21 CN disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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
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
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
CN-1886389-A Quinoxaline compounds JANSSEN PHARMACEUTICA NV (BE) 2006-12-27 CN 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-20100016293-A1 Quinazolines and Related Heterocyclic Compounds, and Their Therapeutic Use HRH4, HRH3, HRH2 HRH4 1/4885HTR3A 137/4885HTR3B 122/4885
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3A 153/4885HTR3B 113/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3A 153/4885HTR3B 113/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 HRH4 1290/4885HTR3A 4393/4885HTR3B 4487/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3A 153/4885HTR3B 113/4885

“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.