SCHEMBL314394

SCHEMBL314394

CCOCC(=O)NNC(=O)C1CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 5/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 4/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8284357 0.84 KMT2A (0.57) KMT2ANPC1RAB9A
SCHEMBL315248 0.79 MGLL (0.57) KMT2AGAAMEN1POLBMAPT
SCHEMBL16399800 0.78 KMT2A (0.41) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL315255 0.76 MEN1 (0.58) KMT2AMEN1
SCHEMBL8283576 0.75 ALDH1A1 (0.38) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL16401131 0.75 KMT2A (0.40) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL316549 0.74 KDM4E (0.37) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL316688 0.73 KDM4E (0.43) ALDH1A1KDM4EKMT2AMEN1CYP3A4
SCHEMBL18330505 0.72 ALDH1A1 (0.50) ALDH1A1KMT2AGAAMEN1POLB
SCHEMBL1034955 0.69 SMN1; SMN2 (0.54) ALDH1A1KMT2AGAAMEN1POLB

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 ALDH1A1 2650/4885KDM4E 3377/4885KMT2A 3968/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 ALDH1A1 2031/4885KDM4E 954/4885KMT2A 1134/4885

“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.