SCHEMBL17938665

SCHEMBL17938665

Cc1ccc2[nH]c(C(=O)N3CCNCC3)cc2c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.78
RAB9A P51151 2/20 0.78
HRH4 Q9H3N8 9/20 0.76
AKR1C3 P42330 6/20 0.71
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
HRH3 Q9Y5N1 2/20 0.68
POLB P06746 1/20 0.62
PIN1 Q13526 1/20 0.57
DRD3 P35462 1/20 0.56

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
SCHEMBL14845693 0.89 NPC1 (0.97) NPC1RAB9AHRH4AKR1C3MEN1
SCHEMBL12334169 0.87 NPC1 (1.00) NPC1RAB9AHRH4AKR1C3MEN1
SCHEMBL601515 0.86 HRH4 (1.00) NPC1RAB9AHRH4AKR1C3MEN1
SCHEMBL14845692 0.85 NPC1 (0.76) NPC1RAB9AHRH4AKR1C3MEN1
SCHEMBL14899883 0.84 HRH4 (0.73) NPC1RAB9AHRH4AKR1C3HRH3
SCHEMBL6130879 0.83 HRH4 (1.00) RAB9AHRH4MEN1KMT2AHRH3
SCHEMBL612331 0.83 AKR1C3 (0.78) NPC1RAB9AHRH4AKR1C3MEN1
SCHEMBL2679610 0.81 HRH4 (1.00) HRH4AKR1C3HRH3POLBDRD3
SCHEMBL29699763 0.81 HRH4 (1.00) HRH4AKR1C3HRH3POLBDRD3
SCHEMBL13174204 0.81 AKR1C3 (1.00) NPC1RAB9AHRH4AKR1C3MEN1

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
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 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 (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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS NPC1 2095/4885RAB9A 1970/4885HRH4 3590/4885

“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.