SCHEMBL314801

SCHEMBL314801

Cc1noc(C)c1CCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
P2RX7 Q99572 4/20 0.44
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ATM Q13315 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL11628784 0.87 TDP1 (0.40) MEN1KMT2AGAAKDM4ENPSR1
SCHEMBL12500526 0.85 P2RX7 (0.44) MEN1KMT2AGAAALDH1A1TDP1
SCHEMBL4437207 0.83 NPSR1 (0.41) MEN1KMT2AGAAKDM4ENPSR1
SCHEMBL7033953 0.83 P2RX7 (0.46) MEN1KMT2AGAAALDH1A1TDP1
SCHEMBL314922 0.82 TDP1 (0.49) MEN1KMT2AGAAKDM4ENPSR1
SCHEMBL12530346 0.81 P2RX7 (0.42) MEN1KMT2AGAANPSR1ALDH1A1
SCHEMBL4182412 0.80 TDP1 (0.47) MEN1KMT2AGAAALDH1A1TDP1
SCHEMBL14302719 0.80 P2RX7 (0.50) MEN1KMT2AALDH1A1TDP1P2RX7
SCHEMBL3690521 0.80 LMNA (0.41) MEN1KMT2AGAAALDH1A1TDP1
SCHEMBL2172793 0.80 P2RX7 (0.49) MEN1KMT2AGAAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
CN-1898244-B Triazole derivatives as vasopressin antagonists PFIZER 2011-06-22 CN disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-20070155671-A1 Diaminopropionic acid derivatives FOTOUHI NADER 2007-07-05 US disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US disclosed
US-20050080119-A1 Diaminopropionic acid derivatives FOTOUHI NADER (US) 2005-04-14 US disclosed
US-6803384-B2 FOR THERAPY OF REPERFUSION INJURY HOFFMANN-LA ROCHE INC. 2004-10-12 US disclosed
US-6331640-B1 TREATMENT OF REPERFUSION INJURIES HOFFMANN-LA ROCHE INC. 2001-12-18 US disclosed
EP-0643725-A1 SINGLE CHAIN PEPTIDE COMPOUNDS HAVING HEMOREGULATORY ACTIVITY NYCOMED IMAGING AS (NO) 1995-03-22 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 (4 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-20070155671-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 MEN1 4739/4885KMT2A 4000/4885GAA 2427/4885
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 MEN1 2639/4885KMT2A 3968/4885GAA 4652/4885
US-20050080119-A1 Diaminopropionic acid derivatives AIFM1, HIF1A, AIFM2 MEN1 4739/4885KMT2A 4000/4885GAA 2427/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MEN1 1081/4885KMT2A 1134/4885GAA 2700/4885

“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.