SCHEMBL316403

SCHEMBL316403

O=C(O)N1CCC(c2nnc(COCC(F)(F)F)o2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.39
CYP2C9 P11712 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
ENPP2 Q13822 2/20 0.36
HTT P42858 1/20 0.36
TNKS O95271 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PDK2 Q15119 1/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 2/20 0.35

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
SCHEMBL10189881 0.85 SMN1; SMN2 (0.52) KMT2AMAPTSMN1; SMN2GAATHRB
SCHEMBL314745 0.84 L3MBTL1 (0.41) HDAC3CYP2C9HDAC1HDAC6KMT2A
SCHEMBL314794 0.84 ENPP2 (0.46) HDAC3CYP2C9HDAC1HDAC6KMT2A
SCHEMBL315752 0.81 PKM (0.42) KMT2AMAPTPOLBSMN1; SMN2GAA
SCHEMBL315267 0.78 MAPT (0.44) HDAC3CYP2C9HDAC1HDAC6KMT2A
SCHEMBL16400168 0.74 LMNA (0.40) HDAC3CYP2C9HDAC1HDAC6KMT2A
SCHEMBL315417 0.72 ENPP2 (0.48) KMT2AMAPTPOLBSMN1; SMN2GAA
SCHEMBL5635587 0.72 TSHR (0.52) HDAC3CYP2C9HDAC1HDAC6KMT2A
SCHEMBL8283578 0.71 SMN1; SMN2 (0.55) KMT2AMAPTSMN1; SMN2GAATHRB
SCHEMBL19899507 0.69 SMN1; SMN2 (0.37) HDAC3CYP2C9HDAC1HDAC6KMT2A

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 HDAC3 598/4885CYP2C9 617/4885HDAC1 1281/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 HDAC3 1940/4885CYP2C9 1314/4885HDAC1 1800/4885

“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.