SCHEMBL89009

SCHEMBL89009

CN1C[C@H]2C[C@@H](C1)C(=O)OC2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
CHRNA7 P36544 2/20 0.30
KCNH2 Q12809 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
PPM1B O75688 1/20 0.30
LMNA P02545 1/20 0.30
PPP1CC P36873 1/20 0.30
TFPI2 P48307 1/20 0.30
RAB9A P51151 1/20 0.30
PPP5C P53041 1/20 0.30
PPP1CA P62136 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TP53 P04637 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
SCHEMBL88846 1.00 KMT2A (0.32) KMT2ACHRNA7KCNH2CHRNB2CHRNB4
SCHEMBL12243196 0.77
SCHEMBL18903326 0.76 KDM4E (0.39) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL11853951 0.76
SCHEMBL14839778 0.71
SCHEMBL2709834 0.71 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL18700017 0.71 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL20428057 0.71 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL3721811 0.71 KDM4E (0.42) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL9115684 0.71 KMT2A (0.33) KMT2ACHRNA7CHRNB2CHRNB4CHRNA3

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-9878981-B2 Method for producing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-01-30 US disclosed
US-20170121286-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-04 US disclosed
US-8497286-B2 Organic compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8383650-B2 Organic compounds NOVARTIS AG (CH) 2013-02-26 US disclosed
US-20130005770-A1 ORGANIC COMPOUNDS NOVARTIS AG 2013-01-03 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20080319018-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-25 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 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-20170121286-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND REN, AGT, AGTR1 KMT2A 1782/4885CHRNA7 4036/4885KCNH2 924/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 KMT2A 3129/4885CHRNA7 3632/4885KCNH2 415/4885
US-20080319018-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 KMT2A 3611/4885CHRNA7 2492/4885KCNH2 986/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 KMT2A 3611/4885CHRNA7 2492/4885KCNH2 986/4885
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 KMT2A 2465/4885CHRNA7 3941/4885KCNH2 391/4885

“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.