SCHEMBL9611472

SCHEMBL9611472

O=C(OCc1ccccc1)N1C[C@H](Oc2ccc(F)cc2)[C@H]2NCC[C@H]21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.41
AGTR2 P50052 5/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
SLC6A3 Q01959 1/20 0.38
PREP P48147 1/20 0.38

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
SCHEMBL9611499 0.89 KLK7 (0.42) HTR2CAGTR2KMT2ANPC1RAB9A
SCHEMBL9611511 0.78 BCHE (0.46) HTR2CAGTR2KDM4ELMNASMN1; SMN2
SCHEMBL9613522 0.77 KDM4E (0.43) KDM4ELMNAPARP1
SCHEMBL928649 0.77 HTR2C (0.50) HTR2CAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL9611438 0.76 ELANE (0.43) AGTR2
SCHEMBL9611415 0.76 HDAC8 (0.40) HTR2CAGTR2KDM4ELMNAPOLB
SCHEMBL8513418 0.76 HDAC8 (0.40) HTR2CAGTR2KDM4ELMNAPOLB
SCHEMBL2724151 0.75 USP30 (0.42) KDM4E
SCHEMBL2115752 0.75 HTR2C (0.47) HTR2CAGTR2NPC1RAB9ASMN1; SMN2
SCHEMBL2622088 0.75 HTR2C (0.47) HTR2CAGTR2NPC1RAB9ASMN1; SMN2

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 HTR2C 4784/4885AGTR2 697/4885KMT2A 4485/4885

“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.