SCHEMBL314794

SCHEMBL314794

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.46
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
HDAC3 O15379 1/20 0.40
CYP2C9 P11712 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HTT P42858 1/20 0.39
PDK2 Q15119 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 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
SCHEMBL316403 0.84 HDAC3 (0.39) ENPP2KMT2AMAPTPOLBHDAC3
SCHEMBL315267 0.83 MAPT (0.44) ENPP2KMT2AMAPTPOLBHDAC3
SCHEMBL8283578 0.83 SMN1; SMN2 (0.55) ENPP2KMT2AMAPTPDK2SMN1; SMN2
SCHEMBL16400168 0.79 LMNA (0.40) ENPP2KMT2AMAPTPOLBHDAC3
SCHEMBL315752 0.78 PKM (0.42) KMT2AMAPTPOLBHTTSMN1; SMN2
SCHEMBL9934955 0.78 ADRB3 (0.35) ENPP2
SCHEMBL9934959 0.78 ADRB3 (0.35) ENPP2
SCHEMBL5635587 0.76 TSHR (0.52) KMT2AMAPTPOLBHDAC3CYP2C9
SCHEMBL315417 0.76 ENPP2 (0.48) ENPP2KMT2AMAPTPOLBHTT
SCHEMBL314745 0.76 L3MBTL1 (0.41) ENPP2KMT2AMAPTPOLBHDAC3

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 ENPP2 292/4885KMT2A 3968/4885MAPT 4829/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 ENPP2 201/4885KMT2A 1134/4885MAPT 4518/4885

“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.