SCHEMBL20533587

SCHEMBL20533587

O=CN1C[C@@H]2CN(c3ccccc3C(F)(F)F)C[C@@H]2C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.50
AKR1C3 P42330 1/20 0.42
KMT2A Q03164 3/20 0.41
HSD11B1 P28845 3/20 0.41
TTR P02766 1/20 0.40
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
TRPV1 Q8NER1 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NOTUM Q6P988 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL1394196 0.79 RBP4 (0.57) RBP4AKR1C3TTRTRPV1NOTUM
SCHEMBL17515577 0.78 BPTF (0.51) RBP4AKR1C3KMT2AHSD11B1
SCHEMBL10128510 0.78 BPTF (0.51) RBP4AKR1C3KMT2AHSD11B1
SCHEMBL19614564 0.76 NOTUM (0.48) RBP4AKR1C3KMT2AHSD11B1TTR
Hydrochloric Acid SCHEMBL17502965 0.76 BPTF (0.50) RBP4AKR1C3KMT2AHSD11B1
Hydrochloric Acid SCHEMBL1394230 0.76 BPTF (0.50) RBP4AKR1C3KMT2AHSD11B1
SCHEMBL19527588 0.75 AKR1C3 (0.47) RBP4AKR1C3KMT2AHSD11B1TTR
SCHEMBL21257991 0.75 KMT2A (0.52) KMT2AL3MBTL1TDP1MEN1MAPT
SCHEMBL1337349 0.75 RBP4 (0.42) RBP4AKR1C3KMT2AHSD11B1TTR
SCHEMBL17454175 0.74 RBP4 (0.55) RBP4CYP3A4CYP2C9CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298012-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-10-18 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 (1 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-20180298012-A1 OCTAHYDROPYRROLOPYRROLES THEIR PREPARATION AND USE QDPR, DPYD, DHPS RBP4 4178/4885AKR1C3 786/4885KMT2A 3514/4885

“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.