SCHEMBL16254286

SCHEMBL16254286

O=C(OCc1ccccc1)N1CCN[C@H]2[C@H](N3CCCC3)CCC[C@H]21

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.51
PREP P48147 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP2C19 P33261 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45
ACE2 Q9BYF1 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
SCHEMBL16250267 1.00 SIGMAR1 (0.51) SIGMAR1PREPSMN1; SMN2NPC1RAB9A
SCHEMBL16250272 0.88 PREP (0.47) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL17722317 0.88 PREP (0.47) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL1190472 0.83 PREP (0.49) SIGMAR1PREPSMN1; SMN2NPC1RAB9A
SCHEMBL15218168 0.79 HTR2C (0.49) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL16237927 0.78 OPRK1 (0.41) SIGMAR1
SCHEMBL17768436 0.78 OPRK1 (0.41) SIGMAR1
SCHEMBL30477418 0.77 SMN1; SMN2 (0.53) PREPSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL15185105 0.77 SIGMAR1 (0.52) SIGMAR1PREPSMN1; SMN2NPC1RAB9A
SCHEMBL10169571 0.77 PREP (0.54) PREPSMN1; SMN2NPC1RAB9AACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122307-A1 PERHYDROQUINOXALINE DERIVATIVES DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2016-05-05 US disclosed
US-8927566-B2 Norepinephrine and selective serotonin receptor blocker and use thereof BEIJING MEDISAN TECHNOLOGY CO., LTD. (CN) 2015-01-06 US disclosed
WO-2014184355-A1 PERHYDROQUINOXALINE DERIVATIVES USEFUL AS ANALGESICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2014-11-20 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-20160122307-A1 PERHYDROQUINOXALINE DERIVATIVES PTGS1, HPGD, HMOX1 SIGMAR1 624/4885PREP 556/4885SMN1; SMN2 3608/4885

“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.