SCHEMBL406010

SCHEMBL406010

CN1CCN(c2nc3ccccc3n3cnnc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 1.00
MAPT P10636 6/20 0.76
HPGD P15428 4/20 0.76
KDM4E B2RXH2 3/20 0.76
HSD17B10 Q99714 2/20 0.73
TSHR P16473 1/20 0.73
CREBBP Q92793 1/20 0.73
POLB P06746 2/20 0.72
HRH3 Q9Y5N1 3/20 0.71
TP53 P04637 3/20 0.69
ESR1 P03372 1/20 0.69
ALDH1A1 P00352 2/20 0.68
LMNA P02545 1/20 0.68
GLA P06280 1/20 0.68
NTSR1 P30989 1/20 0.68
CASP7 P55210 1/20 0.67
HTR3E A5X5Y0 2/20 0.64
HTR3B O95264 2/20 0.64
HTR3A P46098 2/20 0.64
HTR3D Q70Z44 2/20 0.64

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
SCHEMBL29389858 0.86 MAPT (0.76) HRH4MAPTHPGDKDM4EHSD17B10
SCHEMBL10848471 0.84 MAPT (0.72) HRH4MAPTHPGDKDM4EHSD17B10
SCHEMBL405707 0.83 HRH4 (0.82) HRH4MAPTHPGDKDM4EPOLB
SCHEMBL404191 0.83 HRH4 (1.00) HRH4MAPTHPGDKDM4EHSD17B10
SCHEMBL406006 0.82 HRH4 (0.76) HRH4MAPTHPGDKDM4EHSD17B10
SCHEMBL405639 0.82 HRH4 (1.00) HRH4MAPTHPGDKDM4EHSD17B10
SCHEMBL406330 0.82 HRH4 (0.70) HRH4MAPTHPGDKDM4EHRH3
SCHEMBL14828880 0.82 HRH4 (1.00) HRH4MAPTHPGDKDM4EHSD17B10
SCHEMBL16453844 0.81 MAPT (1.00) HRH4MAPTHPGDKDM4EHSD17B10
SCHEMBL14829198 0.81 HRH4 (1.00) HRH4MAPTKDM4EHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 HRH4 1/4885MAPT 2336/4885HPGD 252/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885MAPT 2336/4885HPGD 252/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885MAPT 2336/4885HPGD 252/4885

“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.