SCHEMBL4389070

SCHEMBL4389070

O=C(OCc1ccccc1)N1CC[C@H](c2ccc(Br)cc2Cl)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PDE4B Q07343 1/20 0.50
USP30 Q70CQ3 1/20 0.49
CYP2C19 P33261 1/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
OPRK1 P41145 1/20 0.46
SIGMAR1 Q99720 5/20 0.44
TMEM97 Q5BJF2 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTR1A P08908 1/20 0.43
ADRA2C P18825 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL15168301 1.00 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9APDE4BUSP30
SCHEMBL15187996 1.00 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9APDE4BUSP30
SCHEMBL19405090 0.87 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9APDE4BUSP30
SCHEMBL21815338 0.84 PDE4B (0.60) SMN1; SMN2NPC1RAB9APDE4BUSP30
SCHEMBL28913629 0.84 PDE4B (0.60) SMN1; SMN2NPC1RAB9APDE4BUSP30
SCHEMBL31198971 0.82 PDE4B (0.60) SMN1; SMN2NPC1RAB9APDE4BUSP30
SCHEMBL25819235 0.81 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APDE4BUSP30
SCHEMBL31198753 0.79 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9APDE4BUSP30
SCHEMBL7675406 0.78 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9APDE4BUSP30
SCHEMBL19405234 0.78 PDE4B (0.60) SMN1; SMN2NPC1RAB9APDE4BUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632551-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME (US) 2016-07-06 EP disclosed
US-8895583-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-8895583-B2 Soluble guanylate cyclase activators MERCK SHARP & DOHME CORP. (US) 2014-11-25 US disclosed
US-20130210798-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
US-20130210798-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME LLC 2013-08-15 US disclosed
WO-2012058132-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. (US) 2012-05-03 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 (1 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-20130210798-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A1, GUCY1A2 SMN1; SMN2 1437/4885NPC1 2280/4885RAB9A 989/4885

“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.