SCHEMBL7572479

SCHEMBL7572479

c1cnc2c(c1)C1(CCN2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
RIPK1 Q13546 1/20 0.32
KDM1A O60341 1/20 0.32
SIGMAR1 Q99720 3/20 0.31
PDK2 Q15119 2/20 0.31
GSK3B P49841 1/20 0.31
OTUD7B Q6GQQ9 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL31212132 0.82 OTUD7B (0.40) CYP1A2SMN1; SMN2RIPK1PDK2GSK3B
SCHEMBL18181144 0.82 OTUD7B (0.40) CYP1A2SMN1; SMN2RIPK1PDK2GSK3B
SCHEMBL6002104 0.80 ALDH1A1 (0.38) CYP1A2SMN1; SMN2OTUD7BALDH1A1HPGD
SCHEMBL31456354 0.79 HTR2A (0.37) CYP1A2SMN1; SMN2OTUD7BALDH1A1HPGD
SCHEMBL24125126 0.77 NPC1 (0.32) CYP1A2SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL26167986 0.76 MAP4K1 (0.38) CYP1A2SMN1; SMN2SIGMAR1PDK2GSK3B
SCHEMBL31456439 0.76 MAP4K1 (0.38) CYP1A2SMN1; SMN2SIGMAR1PDK2GSK3B
SCHEMBL25275576 0.76 MAP4K1 (0.38) CYP1A2SMN1; SMN2SIGMAR1PDK2GSK3B
SCHEMBL29386972 0.76 MAP4K1 (0.38) CYP1A2SMN1; SMN2SIGMAR1PDK2GSK3B
SCHEMBL31456368 0.73 HTR2A (0.40) CYP1A2OTUD7BALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US disclosed
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS VALO EARLY DISCOVERY, INC. 2021-10-21 US disclosed
US-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2019-10-10 US disclosed
US-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2019-10-10 US disclosed
US-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2018-04-26 US disclosed
US-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2018-04-26 US disclosed
WO-2016154369-A1 COMPOSITION AND METHODS FOR TREATING CHRONIC KIDNEY DISEASE MERCK SHARP & DOHME CORP. (US) 2016-09-29 WO disclosed
US-6472403-B2 IMIDAZOLIDIN-2-ONE DERIVATIVES; INHIBITING BONE RESORPTION, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, ARTHRITIS, VIRAL DISEASE, CANCER AND METASTATIC TUMOR GROWTH MERCK & CO., INC. 2002-10-29 US disclosed
US-20020037889-A1 Alpha V integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-03-28 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 (5 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-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease ITGAM, ITGAL, ITGB1 CYP1A2 4875/4885SMN1; SMN2 4399/4885ADRA2A 1044/4885
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 CYP1A2 2136/4885SMN1; SMN2 2918/4885ADRA2A 4395/4885
US-20210323975-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS USP28, USP25, USP24 CYP1A2 2136/4885SMN1; SMN2 2918/4885ADRA2A 4395/4885
US-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease ITGAM, ITGB1, ITGB2 CYP1A2 4874/4885SMN1; SMN2 4265/4885ADRA2A 1002/4885
US-20020037889-A1 Alpha V integrin receptor antagonists ITGAV, ITGB3, ITGA5 CYP1A2 4164/4885SMN1; SMN2 3380/4885ADRA2A 520/4885

“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.