SCHEMBL2770672

SCHEMBL2770672

C=C1CC(C(=O)OC)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.39
STS P08842 6/20 0.39
TP53 P04637 1/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
EPHX1 P07099 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
SCHEMBL8308748 0.85 ALDH1A1 (0.48) KMT2AALDH1A1
SCHEMBL12404088 0.84 BRD4 (0.46) SMN1; SMN2PTPN2PTPN1PTPN6HPGD
SCHEMBL17158249 0.77 KDM1A (0.49) SMN1; SMN2PTPN2PTPN1PTPN6STS
SCHEMBL57231 0.75 HPGD (0.62) SMN1; SMN2PTPN2PTPN1PTPN6HPGD
SCHEMBL6615895 0.74 NPC1 (0.47) SMN1; SMN2PTPN2PTPN1PTPN6HPGD
SCHEMBL18039817 0.74 PDE4B (0.46) PTPN2PTPN1PTPN6HPGDSTS
SCHEMBL7311960 0.73 SMN1; SMN2 (0.50) SMN1; SMN2STSKMT2ANPC1RAB9A
SCHEMBL27851257 0.73 USP2 (0.42) SMN1; SMN2HPGDRECQLKMT2A
SCHEMBL1119307 0.73 HPGD (0.59) SMN1; SMN2PTPN2PTPN1PTPN6HPGD
SCHEMBL21996403 0.73 KDM1A (0.39) SMN1; SMN2PTPN2PTPN1PTPN6HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727999-B2 substituted 1,3,8-triaza-spiro[4.5]decan-2-one compounds, used as selective serotonin receptor antagonists, used rfor the treatment of schizophrenia, psychosis, headaches, hypertension, thrombosis, vasospasm, depression, anxiety, sleep disorders and appetite disorders ACADIA PHARMACEUTICALS INC. (US) 2010-06-01 US disclosed
EP-1461339-B1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS ACADIA PHARM INC (US) 2010-04-28 EP disclosed
US-20090131418-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS ACADIA PHARAMCEUTICALS, INC. (US) 2009-05-21 US disclosed
US-7511053-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS, INC. (US) 2009-03-31 US disclosed
US-7402590-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. (US) 2008-07-22 US disclosed
US-7351707-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS, INC. (US) 2008-04-01 US disclosed
CN-100372848-C Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARM INC (US) 2008-03-05 CN disclosed
WO-2007124136-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2007-11-01 WO disclosed
US-20070161621-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS ACADIA PHARMACEUTICALS (US) 2007-07-12 US disclosed
US-7217719-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. (US) 2007-05-15 US disclosed
US-20060205710-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2006-09-14 US disclosed
US-20060199794-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2006-09-07 US disclosed
US-20050256108-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2005-11-17 US disclosed
US-6911452-B2 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. (US) 2005-06-28 US disclosed
CN-1612877-A Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARM INC (US) 2005-05-04 CN disclosed
US-20030166928-A1 Spiroazacyclic compounds as monoamine receptor modulators ACADIA PHARMACEUTICALS INC. 2003-09-04 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 (6 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-20050256108-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A SMN1; SMN2 3011/4885PTPN2 1442/4885PTPN1 1339/4885
US-20060205710-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A SMN1; SMN2 3011/4885PTPN2 1442/4885PTPN1 1339/4885
US-20090131418-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS MAOA, MAOB, HTR5A SMN1; SMN2 3011/4885PTPN2 1442/4885PTPN1 1339/4885
US-20030166928-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A SMN1; SMN2 3011/4885PTPN2 1442/4885PTPN1 1339/4885
US-20070161621-A1 SPIROAZACYCLIC COMPOUNDS AS MONOAMINE RECEPTOR MODULATORS MAOA, MAOB, HTR5A SMN1; SMN2 3011/4885PTPN2 1442/4885PTPN1 1339/4885
US-20060199794-A1 Spiroazacyclic compounds as monoamine receptor modulators MAOA, MAOB, HTR5A SMN1; SMN2 3011/4885PTPN2 1442/4885PTPN1 1339/4885

“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.