SCHEMBL405850

SCHEMBL405850

Clc1ccc2c(c1)nc(N1CCNCC1)c1nocc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
NCF1 P14598 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
HRH4 Q9H3N8 7/20 0.45
TOP1 P11387 1/20 0.43
TOP2A P11388 1/20 0.43
KDM4E B2RXH2 1/20 0.40
S1PR2 O95136 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR6 P50406 4/20 0.39
MAOB P27338 2/20 0.39
HRH3 Q9Y5N1 3/20 0.38
KCNH2 Q12809 2/20 0.38

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
SCHEMBL405126 0.90 KDM4E (0.48) ADRB2NCF1HTR3EHTR3BHTR3A
SCHEMBL405361 0.85 HRH4 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL406423 0.85 HTT (0.47) NCF1HRH4HTR6HRH3KCNH2
SCHEMBL405322 0.85 TAAR1 (0.46) ADRB2NCF1HRH4KMT2AHIF1A
SCHEMBL439038 0.82 HTR2C (0.51) ADRB2NCF1HTR3EHTR3BHTR3A
SCHEMBL12224699 0.81 FABP4 (0.38) HRH4LMNAKMT2A
SCHEMBL405394 0.80 KCNH2 (0.37) HRH4HTR6HRH3KCNH2
SCHEMBL405357 0.78 HTT (0.53) ADRB2NCF1HTR3ALMNAHTR6
SCHEMBL406372 0.78 HTR6 (0.51) ADRB2NCF1HTR3EHTR3BHTR3A
SCHEMBL12224706 0.76 HTR6 (0.35) NCF1HRH4HTR6HRH3KCNH2

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
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

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 ADRB2 571/4885NCF1 1279/4885HTR3E 71/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ADRB2 571/4885NCF1 1279/4885HTR3E 71/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 ADRB2 571/4885NCF1 1279/4885HTR3E 71/4885

“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.