SCHEMBL3893136

SCHEMBL3893136

COc1ccc(N2CCCC2=O)cc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.51
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
HSD17B10 Q99714 1/20 0.50
P2RX7 Q99572 1/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL5610349 0.84 NOTUM (0.46) SMN1; SMN2P2RX7LMNAHPGDNPC1
Hydrochloric Acid SCHEMBL6437878 0.84 KMT2A (0.44) MAPK1SMN1; SMN2P2RX7LMNAPOLB
SCHEMBL7066002 0.84 ABCB1 (0.50) CHRNA7MAPTSMN1; SMN2P2RX7LMNA
SCHEMBL7294542 0.83 MAPT (0.66) MAPTSMN1; SMN2LMNAPOLBHPGD
SCHEMBL13097411 0.79 GRM5 (0.56) SMN1; SMN2HSD17B10LMNAHPGDTSHR
SCHEMBL5569349 0.78 SMN1; SMN2 (0.55) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL22502298 0.78 PDE4A (0.49) CHRNA7MAPTMAPK1HTR2AHTR2C
SCHEMBL22502300 0.78 PDE4A (0.49) CHRNA7MAPTMAPK1HTR2AHTR2C
SCHEMBL11082062 0.77 SMPD1 (0.57) MAPTSMN1; SMN2HSD17B10LMNAHPGD
SCHEMBL6414662 0.77 HTR2C (0.72) MAPK1HTR2AHTR2CHTR2BHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601742-B2 4-(3-Hydroxy-4-methoxyphenyl)-pyrrolidin-2-one and derivatives; reverse transcriptase inhibitors; AIDS IRM LLC (BM) 2009-10-13 US disclosed
US-7495016-B2 Pyrrolidones with anti-HIV activity IRM LLC (BM) 2009-02-24 US disclosed
US-20080255136-A1 PYRROLIDONES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2008-10-16 US disclosed
US-20040157859-A1 Pyrrolidones with anti-HIV activity IRM LLC, A DELAWARE LLC (BM) 2004-08-12 US disclosed
WO-2004037784-A2 PYRROLIDONES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2004-05-06 WO 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-20080255136-A1 PYRROLIDONES WITH ANTI-HIV ACTIVITY PREP, DHPS, PDCD11 CHRNA7 4780/4885MAPT 1836/4885MAPK1 2282/4885
US-20040157859-A1 Pyrrolidones with anti-HIV activity PREP, DHPS, PDCD11 CHRNA7 4780/4885MAPT 1836/4885MAPK1 2282/4885

“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.