SCHEMBL800726

SCHEMBL800726

C=C(N1CCOCC1)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
USP2 O75604 1/20 0.44
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA9 Q16790 3/20 0.39
CA2 P00918 2/20 0.39
FAAH O00519 1/20 0.38
PHGDH O43175 1/20 0.38
ALDH2 P05091 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
MGLL Q99685 1/20 0.38
RECQL P46063 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL19287007 0.77 ALDH1A1 (0.36) SMN1; SMN2MEN1TP53KMT2AALDH1A1
SCHEMBL5773987 0.77 ALDH1A1 (0.38) SMN1; SMN2MEN1TP53KMT2AALDH1A1
SCHEMBL18288344 0.76 MEN1 (0.41) SMN1; SMN2USP2MEN1TP53KMT2A
SCHEMBL12935890 0.75 ALDH1A1 (0.42) SMN1; SMN2MEN1TP53KMT2AALDH1A1
SCHEMBL19961008 0.73 CYP1A2 (0.42) ALDH1A1PHGDHMGLLHTTTSHR
SCHEMBL22540297 0.73 RECQL (0.37) SMN1; SMN2USP2MEN1KMT2AALDH1A1
SCHEMBL15076093 0.73 AKR1C3 (0.40) SMN1; SMN2MEN1TP53KMT2AALDH1A1
SCHEMBL8252369 0.72
SCHEMBL19263464 0.71 SMN1; SMN2 (0.44) SMN1; SMN2USP2MEN1TP53KMT2A
SCHEMBL800634 0.71 SMN1; SMN2 (0.55) SMN1; SMN2USP2MEN1TP53KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BEONE MEDICINES I GMBH (CH) 2023-07-13 US disclosed
US-8846684-B2 Arbovirus inhibitors and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-30 US disclosed
US-8796460-B2 Compounds for inhibiting KSP kinesin activity Mercky Sharp & Dohme Corp. (US) 2014-08-05 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-04 US disclosed
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS MERCK SHARP & DOHME CORP. 2012-03-22 US disclosed
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2011-11-17 US disclosed
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-07-14 US disclosed
US-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME CORP. 2011-06-23 US disclosed
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY MERCK SHARP & DOHME LLC 2011-05-26 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 (8 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-20110150757-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF18B, KIF5B, KIF18A SMN1; SMN2 1163/4885USP2 2383/4885MEN1 2640/4885
US-20120070370-A1 SPIRO 1,3,4-THIADIAZOLINE DERIVATIVES AS KSP INHIBITORS KIF2C, SKP1, KIF5B SMN1; SMN2 1648/4885USP2 3988/4885MEN1 3028/4885
US-20110123435-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 SMN1; SMN2 1363/4885USP2 2459/4885MEN1 2410/4885
US-20230219975-A1 PYRIDO[2,3-B][1,4]OXAZINES OR TETRAHYDROPYRIDO[2,3-B][1,4]OXAZEPINES AS IAP ANTAGONISTS BIRC2, BIRC3, API5 SMN1; SMN2 419/4885USP2 2155/4885MEN1 4097/4885
US-20110281850-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK SMN1; SMN2 4304/4885USP2 1955/4885MEN1 1596/4885
US-20120252807-A1 ARBOVIRUS INHIBITORS AND USES THEREOF ACE, ACE2, MME SMN1; SMN2 3728/4885USP2 3484/4885MEN1 4434/4885
US-20110171172-A1 COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY KIF5B, KIF2C, KIFC1 SMN1; SMN2 1469/4885USP2 2571/4885MEN1 2095/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK SMN1; SMN2 4304/4885USP2 1955/4885MEN1 1596/4885

“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.