SCHEMBL1961834

SCHEMBL1961834

O=C(O)[C@@]1(C2(O)CCC2)C=C[C@@H](NCc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
EPHX1 P07099 1/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
EPHX2 P34913 2/20 0.39
MAPK1 P28482 1/20 0.39
P2RX7 Q99572 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
MC4R P32245 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL14874963 0.68
SCHEMBL3433755 0.68
Hydrochloric Acid SCHEMBL8992422 0.67 OPRM1 (0.43) HPGDEPHX2MAPK1P2RX7MEN1
SCHEMBL1961831 0.66 DDB1 (0.43)
SCHEMBL1347780 0.65 OPRM1 (0.46) HPGDEPHX1ALDH1A1USP2MEN1
SCHEMBL3432957 0.65
SCHEMBL572229 0.64 OPRM1 (0.55) HPGDEPHX1MEN1KMT2ARAB9A
SCHEMBL12491992 0.64 MMP8 (0.57) HPGDEPHX1ALDH1A1USP2MEN1
Hydrochloric Acid SCHEMBL573397 0.63 OPRM1 (0.56) HPGDEPHX1MEN1KMT2ARAB9A
SCHEMBL27797781 0.61 GRIN2B (0.56) HPGDEPHX1ALDH1A1USP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946413-B2 3-aminocyclopentanecarboxamides as chemokine receptor agonists PFIZER INC. (US) 2015-02-03 US disclosed
US-20110144129-A1 3-Aminocyclopentanecarboxamides as Chemokine Receptor Agonists PFIZER INC 2011-06-16 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-20110144129-A1 3-Aminocyclopentanecarboxamides as Chemokine Receptor Agonists ACKR3, CCR2, CCR5 HPGD 1342/4885EPHX1 1146/4885ALDH1A1 1105/4885

“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.