SCHEMBL17040329

SCHEMBL17040329

CC(C)C(=O)N1CCC(c2ccncc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.55
HSD11B1 P28845 2/20 0.53
NAMPT P43490 4/20 0.52
SPR P35270 1/20 0.51
LMNA P02545 2/20 0.48
CYP2C9 P11712 1/20 0.47
EPHX2 P34913 1/20 0.47
CYP2J2 P51589 1/20 0.47
ROCK2 O75116 1/20 0.46
PRKG1 Q13976 1/20 0.46
DPP4 P27487 1/20 0.45
ACACB O00763 1/20 0.44
RECQL P46063 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 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
SCHEMBL27282433 0.91 NAMPT (0.60) PDE4BHSD11B1NAMPTSPRLMNA
SCHEMBL17037455 0.89 HSD11B1 (0.51) PDE4BHSD11B1NAMPTSPRLMNA
SCHEMBL16886312 0.85 RAB9A (0.58) PDE4BHSD11B1NAMPTLMNANPC1
SCHEMBL16886321 0.83 HSD11B1 (0.57) PDE4BHSD11B1NAMPTSPRLMNA
SCHEMBL14276847 0.83 HSD11B1 (0.56) PDE4BHSD11B1NAMPTSPRLMNA
SCHEMBL2807714 0.81 HSD11B1 (0.58) HSD11B1NAMPTSPRLMNACYP2C9
SCHEMBL20149063 0.80 HSD11B1 (0.60) HSD11B1NAMPTSPRLMNACYP2C9
SCHEMBL14413518 0.80 HSD11B1 (0.56) PDE4BHSD11B1NAMPTSPRLMNA
SCHEMBL16600285 0.80 HSD11B1 (0.56) HSD11B1NAMPTSPRLMNACYP2C9
SCHEMBL17516279 0.80 PDE4B (0.53) PDE4BNAMPTLMNANPC1RAB9A

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-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2020-03-17 US disclosed
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY Therapeutics LLC 2019-01-24 US disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 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 (3 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 PDE4B 1552/4885HSD11B1 1230/4885NAMPT 3260/4885
US-10588894-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS PDE4B 1430/4885HSD11B1 3248/4885NAMPT 2637/4885
US-20190022074-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS PDE4B 1430/4885HSD11B1 3248/4885NAMPT 2637/4885

“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.