SCHEMBL2102200

SCHEMBL2102200

COC(=O)[C@@H]1C[C@H](OC(=O)N2CCc3ccccc3C2)CN1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ABHD6 Q9BV23 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PRMT5 O14744 3/20 0.42
WDR77 Q9BQA1 3/20 0.42
KMT2A Q03164 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HSD11B1 P28845 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL2102201 1.00 NOTUM (0.45) NOTUMNPC1RAB9AABHD6ALDH1A1
SCHEMBL2608458 1.00 NOTUM (0.45) NOTUMNPC1RAB9AABHD6ALDH1A1
SCHEMBL8253789 1.00 NOTUM (0.45) NOTUMNPC1RAB9AABHD6ALDH1A1
SCHEMBL8278742 0.89 NOTUM (0.50) NOTUMRAB9AABHD6ALDH1A1PRMT5
SCHEMBL2608464 0.89 NOTUM (0.47) NOTUMNPC1RAB9AABHD6ALDH1A1
SCHEMBL8246914 0.88 NOTUM (0.44) NOTUMNPC1RAB9AABHD6ALDH1A1
SCHEMBL13047498 0.85 NOTUM (0.41) NOTUMNPC1RAB9AABHD6ALDH1A1
SCHEMBL2608452 0.85 NOTUM (0.41) NOTUMNPC1RAB9AABHD6ALDH1A1
SCHEMBL3748218 0.84 PRMT5 (0.47) NOTUMNPC1RAB9AABHD6PRMT5
SCHEMBL2612174 0.84 PRMT5 (0.47) NOTUMNPC1RAB9AABHD6PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163693-B2 Urea-containing peptides as inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2012-04-24 US disclosed
EP-2190858-A2 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2010-06-02 EP disclosed
WO-2009042668-A2 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2009-04-02 WO disclosed
US-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2009-03-26 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-20090082261-A1 UREA-CONTAINING PEPTIDES AS INHIBITORS OF VIRAL REPLICATION VIP, SLC14A1, RPL35 NOTUM 3415/4885NPC1 360/4885RAB9A 137/4885

“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.