SCHEMBL439717

SCHEMBL439717

NNc1nc2cc(Cl)ccc2nc1N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.50
HTR3B O95264 3/20 0.50
HTR3A P46098 3/20 0.50
HTR3D Q70Z44 3/20 0.50
HTR3C Q8WXA8 3/20 0.50
HRH4 Q9H3N8 4/20 0.44
ADRB2 P07550 1/20 0.44
NCF1 P14598 1/20 0.44
KDM4E B2RXH2 1/20 0.43
S1PR2 O95136 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR6 P46095 4/20 0.41
TOP1 P11387 1/20 0.40
TOP2A P11388 1/20 0.40
PDE10A Q9Y233 1/20 0.40
ADRB1 P08588 2/20 0.40
SIGMAR1 Q99720 2/20 0.40

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
SCHEMBL439406 0.84 ADRB2 (0.43) HRH4ADRB2NCF1KMT2AGPR6
SCHEMBL405313 0.75 KDM4E (0.62) HTR3AHRH4KDM4ES1PR2LMNA
SCHEMBL438327 0.72 PIK3CG (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31142920 0.71 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL16416176 0.71 HTR6 (0.67) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL30222913 0.70 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL462840 0.70 HRH4 (0.64) HTR3BHTR3AHRH4
SCHEMBL10219394 0.70 HRH4 (0.70) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL603776 0.69 HRH4 (0.74) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL603257 0.69 HRH4 (0.60) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102388044-A Heterocyclic inhibitors of histamine receptors for the treatment of diseases KALYPSYS INC 2012-03-21 CN 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
WO-2011112731-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-2324029-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2011-05-25 EP 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
WO-2010030785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS INC. (US) 2010-03-18 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HTR3E 71/4885HTR3B 113/4885HTR3A 153/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HTR3E 71/4885HTR3B 113/4885HTR3A 153/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HTR3E 71/4885HTR3B 113/4885HTR3A 153/4885

“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.