SCHEMBL6874283

SCHEMBL6874283

COC(=O)CC1CCC(CN)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
PLG P00747 1/20 0.47
PLAT P00750 1/20 0.47
BRD4 O60885 1/20 0.43
CYP2D6 P10635 1/20 0.39
TSHR P16473 3/20 0.37
KDM4E B2RXH2 1/20 0.36
NCF1 P14598 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
HSD17B10 Q99714 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34
DGAT1 O75907 1/20 0.33

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
SCHEMBL20855750 1.00 LMNA (0.47) LMNAPLGPLATBRD4CYP2D6
SCHEMBL16977581 1.00 LMNA (0.47) LMNAPLGPLATBRD4CYP2D6
SCHEMBL2036054 0.89
SCHEMBL24197361 0.89 BRD4 (0.50) BRD4TSHRSMN1; SMN2HSD17B10MGAM
SCHEMBL26647720 0.89 BRD4 (0.50) BRD4TSHRSMN1; SMN2HSD17B10MGAM
Ammonia Solution, Strong SCHEMBL27687914 0.87
SCHEMBL13240741 0.83 BRD4 (0.43) LMNABRD4TSHRKDM4ESMN1; SMN2
SCHEMBL13240738 0.83 BRD4 (0.43) LMNABRD4TSHRKDM4ESMN1; SMN2
SCHEMBL1188558 0.83 BRD4 (0.43) LMNABRD4TSHRKDM4ESMN1; SMN2
SCHEMBL25010679 0.83 BRD4 (0.43) LMNAPLGPLATBRD4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177611-B1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION AS (DK) 2021-10-06 EP disclosed
US-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases NUEVOLUTION A/S (DK) 2020-06-23 US disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2017-11-16 US disclosed
WO-2016020295-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2016-02-11 WO disclosed
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 US disclosed
WO-2004018448-A1 NOVEL THIOPHENE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 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 (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-10689383-B2 Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases RORA, RORC, RORB LMNA 4257/4885PLG 3467/4885PLAT 1915/4885
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 LMNA 3541/4885PLG 940/4885PLAT 1253/4885
US-20170327503-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES PPARD, PPARG, RORC LMNA 4085/4885PLG 2333/4885PLAT 2139/4885

“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.