SCHEMBL438331

SCHEMBL438331

CN1CCN(c2nc(NN)c3cc(Cl)ccc3n2)CC1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 18/20 0.79
HTR3A P46098 10/20 0.79
HRH1 P35367 1/20 0.64
KDM4E B2RXH2 1/20 0.62
USP2 O75604 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CASP1 P29466 1/20 0.62
CASP7 P55210 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62

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
SCHEMBL3614076 0.88 HRH4 (1.00) HRH4HTR3AHRH1
SCHEMBL3611923 0.85 HRH4 (1.00) HRH4HTR3AHRH1
SCHEMBL405313 0.85 KDM4E (0.62) HRH4HTR3AKDM4ENPSR1
SCHEMBL3606871 0.84 HTR3A (1.00) HRH4HTR3AHRH1
SCHEMBL604257 0.84 HRH4 (1.00) HRH4HTR3AHRH1KDM4EUSP2
SCHEMBL3602285 0.82 HRH4 (0.72) HRH4HTR3AHRH1
SCHEMBL3598115 0.82 HRH4 (1.00) HRH4HTR3AHRH1
SCHEMBL12225235 0.81 HRH4 (0.54) HRH4HTR3AHRH1
SCHEMBL12246590 0.81 HRH4 (0.60) HRH4HTR3AHRH1
SCHEMBL3609021 0.81 HRH4 (1.00) HRH4HTR3AHRH1

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 7 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-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
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 1/4885HTR3A 153/4885HRH1 4/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3A 153/4885HRH1 4/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HRH4 1/4885HTR3A 153/4885HRH1 4/4885

“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.