SCHEMBL9611499

SCHEMBL9611499

O=C(OCc1ccccc1)N1C[C@H](OCc2ccc(F)cc2)[C@H]2NCC[C@H]21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.42
KLK5 Q9Y337 1/20 0.42
HTR2C P28335 1/20 0.41
AGTR2 P50052 5/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCRTR2 O43614 1/20 0.39
BCHE P06276 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL9611472 0.89 HTR2C (0.41) HTR2CAGTR2KMT2ANPC1RAB9A
SCHEMBL9611358 0.83 BACE1 (0.41) KLK7
SCHEMBL9611511 0.78 BCHE (0.46) HTR2CAGTR2SMN1; SMN2BCHE
SCHEMBL928649 0.77 HTR2C (0.50) HTR2CAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL8515007 0.77 KLK7 (0.46) KLK7
SCHEMBL9611359 0.77 KLK7 (0.46) KLK7
SCHEMBL9613454 0.76 KLK7 (0.46) KLK7KLK5NPC1RAB9ASMN1; SMN2
SCHEMBL2115752 0.76 HTR2C (0.47) HTR2CAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL2622088 0.76 HTR2C (0.47) HTR2CAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL1934186 0.76 CPT1A (0.46) HTR2CAGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
US-8415486-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORP. (US) 2013-04-09 US disclosed
US-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 US disclosed
US-20120135990-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2012-05-31 US disclosed
WO-2010138666-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. (US) 2010-12-02 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-20120135990-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 KLK7 2479/4885KLK5 2327/4885HTR2C 4784/4885

“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.