SCHEMBL10271760

SCHEMBL10271760

CCCCOc1c(C(=O)OCC)occc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 3/20 0.39
HTT P42858 1/20 0.39
LDHA P00338 6/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
NPC1 O15118 2/20 0.37
CYP2C9 P11712 2/20 0.37
HPGD P15428 1/20 0.37
ESR1 P03372 1/20 0.37
CYP2D6 P10635 1/20 0.37
NR1H2 P55055 1/20 0.37

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
SCHEMBL4549708 0.87 MAOA (0.39) LMNAGAASMN1; SMN2RAB9AHTT
SCHEMBL93031 0.84 LMNA (0.42) LMNAGAALDHATSHRTDP1
SCHEMBL13946439 0.83 KMT2A (0.38) LMNAGAASMN1; SMN2RAB9ALDHA
SCHEMBL19346642 0.83 LDHA (0.39) LMNAGAASMN1; SMN2LDHATSHR
SCHEMBL25024624 0.82 SMN1; SMN2 (0.43) LMNAGAASMN1; SMN2RAB9AHTT
SCHEMBL29142515 0.82 MAOA (0.43) LMNATSHRTDP1ALDH1A1KMT2A
SCHEMBL19346549 0.81 TSHR (0.39) LMNAGAASMN1; SMN2RAB9AHTT
SCHEMBL17934208 0.81 LDHA (0.37) LMNAGAALDHATSHRKMT2A
SCHEMBL4545472 0.80 LMNA (0.63) LMNAGAASMN1; SMN2RAB9AHTT
SCHEMBL12395893 0.80 LDHA (0.40) LMNAGAASMN1; SMN2RAB9AHTT

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
EP-2540720-B1 1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-A]PYRAZINE DERIVATIVE AND USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2015-04-15 EP disclosed
US-20120108564-A1 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyradine Derivatives and Use Thereof as HIV Integrase Inhibitor JAPAN TOBACCO INC. (JP) 2012-05-03 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-20120108564-A1 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyradine Derivatives and Use Thereof as HIV Integrase Inhibitor IMPDH1, IMPA1, DPYD LMNA 3305/4885GAA 2362/4885SMN1; SMN2 3371/4885

“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.