SCHEMBL314922

SCHEMBL314922

Cc1noc(C)c1CCC(=O)NNC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
P2RX7 Q99572 6/20 0.49
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TAS2R8 Q9NYW2 2/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKR1C3 P42330 2/20 0.40
LMNA P02545 1/20 0.40
HCAR2 Q8TDS4 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
SCHEMBL14302719 0.85 P2RX7 (0.50) TDP1P2RX7MEN1KMT2ATAS2R8
SCHEMBL10189865 0.83 P2RX7 (0.49) TDP1P2RX7MEN1KMT2ATAS2R8
SCHEMBL10189864 0.83 TDP1 (0.43) TDP1P2RX7GAAMEN1KMT2A
SCHEMBL314801 0.82 MEN1 (0.45) TDP1P2RX7GAAMEN1KMT2A
Hydrochloric Acid SCHEMBL315726 0.82 P2RX7 (0.48) TDP1P2RX7MEN1KMT2ATAS2R8
SCHEMBL12500526 0.79 P2RX7 (0.44) TDP1P2RX7GAAMEN1KMT2A
SCHEMBL4182412 0.78 TDP1 (0.47) TDP1P2RX7GAAMEN1KMT2A
SCHEMBL7033953 0.77 P2RX7 (0.46) TDP1P2RX7GAAMEN1KMT2A
SCHEMBL12530346 0.76 P2RX7 (0.42) TDP1P2RX7GAAMEN1KMT2A
SCHEMBL3690521 0.74 LMNA (0.41) TDP1P2RX7GAAMEN1KMT2A

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 6 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
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
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

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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 TDP1 4759/4885P2RX7 2186/4885GAA 4652/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 TDP1 4263/4885P2RX7 288/4885GAA 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.