SCHEMBL405937

SCHEMBL405937

Clc1ccc2nc(NC3CCNCC3)c3nncn3c2c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
TOP2A P11388 1/20 0.56
MAPT P10636 2/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
RXFP1 Q9HBX9 2/20 0.50
IRAK4 Q9NWZ3 1/20 0.48
HRH4 Q9H3N8 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL12224096 0.89 MAPT (0.54) SMN1; SMN2ALDH1A1TOP2AMAPTKMT2A
SCHEMBL405271 0.81 HRH4 (0.52) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL405466 0.78 HRH4 (0.48) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL10847842 0.75 RXFP1 (0.65) SMN1; SMN2MAPTKMT2AMEN1TP53
SCHEMBL404516 0.74 HRH4 (0.74) ALDH1A1MAPTKMT2ATP53POLB
SCHEMBL404413 0.73 HRH4 (0.69) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL7341576 0.72 TOP2A (0.97) SMN1; SMN2ALDH1A1TOP2AMAPTKMT2A
SCHEMBL405269 0.72 HRH4 (0.60) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL404420 0.72 MAPT (0.65) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL8102748 0.71 MAPK8 (0.69)

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 SMN1; SMN2 4774/4885ALDH1A1 1909/4885TOP2A 4275/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 SMN1; SMN2 4774/4885ALDH1A1 1909/4885TOP2A 4275/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 SMN1; SMN2 4774/4885ALDH1A1 1909/4885TOP2A 4275/4885

“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.