SCHEMBL2880253

SCHEMBL2880253

CC1CCN(c2ncnc3ccc(C=O)cc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
LMNA P02545 2/20 0.60
LCK P06239 1/20 0.49
CHRM4 P08173 2/20 0.47
ENPP1 P22413 2/20 0.46
MTNR1B P49286 1/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 2/20 0.44
CLK4 Q9HAZ1 2/20 0.44
CYP2C9 P11712 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL2882078 0.87 ENPP1 (0.48) HTTSMN1; SMN2LMNACHRM4ENPP1
SCHEMBL2882262 0.84 HTT (0.65) HTTSMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL2882279 0.84 PRKDC (0.47) HTTSMN1; SMN2LMNAENPP1ALDH1A1
SCHEMBL2877353 0.82 PTK2 (0.59) LMNAALDH1A1CYP1A2CLK4HSD17B10
SCHEMBL2882362 0.81 HTT (0.46) HTTSMN1; SMN2LMNACHRM4ENPP1
SCHEMBL2882419 0.81 STAT3 (0.57) HTTSMN1; SMN2LMNAENPP1ALDH1A1
SCHEMBL2882868 0.81 KIT (0.48) HTTSMN1; SMN2LMNAALDH1A1CYP1A2
SCHEMBL27602718 0.80 LMNA (0.44) HTTSMN1; SMN2LMNACHRM4ENPP1
SCHEMBL2876848 0.80 PIK3CD (0.53) HTTSMN1; SMN2LMNALCKNPC1
SCHEMBL2882110 0.80 MAPK1 (0.67) SMN1; SMN2MTNR1BALDH1A1CYP1A2CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
CN-1681811-B Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS 2010-05-26 CN disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
CN-1681811-A Azolidinone-vinyl fused-benzene derivatives APPLIED RESEARCH SYSTEMS (AN) 2005-10-12 CN disclosed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX HTT 1649/4885SMN1; SMN2 2134/4885LMNA 3252/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 HTT 3887/4885SMN1; SMN2 3624/4885LMNA 1094/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B HTT 1583/4885SMN1; SMN2 2104/4885LMNA 3373/4885

“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.