SCHEMBL3210664

SCHEMBL3210664

COC(=O)C1C[CH]CCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNA4 P43681 2/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 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
SCHEMBL17889899 0.90
SCHEMBL385399 0.90
SCHEMBL27542278 0.79 HRH3 (0.38) SMN1; SMN2HTTKMT2ATDP1ALDH1A1
SCHEMBL17871025 0.79 ALDH1A1 (0.47) SMN1; SMN2POLBKMT2ATDP1ALDH1A1
SCHEMBL5428424 0.79 SMN1; SMN2 (0.33) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL11473193 0.79 ALDH1A1 (0.47) SMN1; SMN2POLBKMT2ATDP1ALDH1A1
SCHEMBL293000 0.79 TP53 (0.47) SMN1; SMN2TP53CHRNB2CHRNA4CHRNB4
SCHEMBL2533201 0.78
SCHEMBL4015654 0.77 SMN1; SMN2 (0.45) SMN1; SMN2TP53CHRNB2CHRNA4CHRNB4
SCHEMBL4015650 0.77 SMN1; SMN2 (0.45) SMN1; SMN2TP53CHRNB2CHRNA4CHRNB4

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104610363-A Phosphoramidite ligand as well as preparation method and application thereof UNIV SUN YAT SEN 2015-05-13 CN claimed
US-8383637-B2 2-amino-quinazoline derivatives useful as inhibitors of β-secretase (BACE) JANSSSEN PHARMACEUTICA N.V. (BE) 2013-02-26 US claimed
EP-1776349-B1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-10-06 EP claimed
EP-1776349-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-25 EP claimed
US-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-13 US claimed
WO-2006017836-A2 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA, N.V. (BE) 2006-02-16 WO claimed
EP-0081838-B1 CYCLOHEXYL AND PHENYL SUBSTITUTED ENKEPHALINS G.D. Searle & Co. (US) 1988-04-27 EP claimed
CN-112898309-A Tricyclic compounds as immunomodulators 正大天晴药业集团股份有限公司 2021-06-04 CN disclosed
EP-3030560-B1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2017-06-21 EP disclosed
US-9663473-B2 Benzimidazolyl-methyl urea derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-05-30 US disclosed
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-07-14 US disclosed
EP-3030560-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd (CH) 2016-06-15 EP disclosed
CN-105473575-A Benzimidazolyl-methylurea derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD 2016-04-06 CN disclosed
US-5643925-A COGNITION ACTIVATORS AND NERVE GROWTH FACTORS SANKYO COMPANY, LIMITED (JP) 1997-07-01 US disclosed
US-5614521-A NERVE GROWTH FACTOR SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0501656-B1 New benzene derivatives having (NGF) production-promoting activity SANKYO CO (JP) 1997-01-22 EP disclosed
US-5463122-A Amido-phenylthiols or dithiobisbenzamides as bactericides, viricides, retrovirus antigrowth agents; AIDS WARNER-LAMBERT COMPANY (US) 1995-10-31 US disclosed
CN-1064273-A The new NGF that has generates the active benzene derivative of promotion SANKYO CO (JP) 1992-09-09 CN disclosed
EP-0501656-A2 New benzene derivatives having (NGF) production-promoting activity Sankyo Company Limited (JP) 1992-09-02 EP disclosed
EP-0081838-B1 CYCLOHEXYL AND PHENYL SUBSTITUTED ENKEPHALINS G.D. Searle & Co. (US) 1988-04-27 EP 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 (2 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-20060079687-A1 Novel 2-amino-quinazoline derivatives useful as inhibitors of beta-secretase (BACE) BACE2, BACE1, APP SMN1; SMN2 2803/4885TP53 3364/4885CHRNB2 100/4885
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS UTS2R, ADORA3, P2RX7 SMN1; SMN2 3377/4885TP53 4463/4885CHRNB2 700/4885

“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.