SCHEMBL315255

SCHEMBL315255

CCOCC(=O)NNC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
UBE2M P61081 1/20 0.55
DCUN1D1 Q96GG9 1/20 0.55
MGLL Q99685 9/20 0.55
HSD11B1 P28845 1/20 0.52
ADRB2 P07550 1/20 0.50
CASP3 P42574 1/20 0.50

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
SCHEMBL315248 0.87 MGLL (0.57) MEN1KMT2AUBE2MDCUN1D1MGLL
SCHEMBL315755 0.86 MEN1 (0.61) MEN1KMT2AUBE2MDCUN1D1MGLL
SCHEMBL5802062 0.80 MGLL (0.54) MEN1KMT2AUBE2MDCUN1D1MGLL
SCHEMBL315088 0.79 TSHR (0.72) MEN1KMT2AMGLLHSD11B1
SCHEMBL315815 0.77 MGLL (0.67) MEN1KMT2AUBE2MDCUN1D1MGLL
SCHEMBL314394 0.76 ALDH1A1 (0.41) MEN1KMT2A
SCHEMBL25172112 0.75 ALDH1A1 (0.58) MEN1KMT2AUBE2MDCUN1D1MGLL
SCHEMBL23410959 0.74 KMT2A (0.67) MEN1KMT2AUBE2MDCUN1D1MGLL
SCHEMBL29967110 0.74 KMT2A (0.67) MEN1KMT2AUBE2MDCUN1D1MGLL
SCHEMBL8285698 0.74 MGLL (0.62) MEN1KMT2AUBE2MDCUN1D1MGLL

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 11 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-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
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-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 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
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US 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 MEN1 2639/4885KMT2A 3968/4885UBE2M 4163/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MEN1 1081/4885KMT2A 1134/4885UBE2M 3737/4885

“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.