SCHEMBL425673

SCHEMBL425673

O=C(N1CCC2(CC1)OCCO2)n1cnc(-c2ccc(Cl)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.51
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 3/20 0.43
GAA P10253 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
BCHE P06276 1/20 0.41
LIPE Q05469 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CASP1 P29466 1/20 0.40

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
SCHEMBL425576 0.84 LIPE (0.56) POLBALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL425860 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1HPGD
SCHEMBL462380 0.74 MAP4K4 (0.38) POLBHPGDBCHELIPE
SCHEMBL427075 0.74 BRD4 (0.38) POLBHPGDBCHELIPE
SCHEMBL427456 0.74 SCN5A (0.51) POLBALDH1A1KDM4ELMNAHTT
SCHEMBL425835 0.72 AKR1C3 (0.54) POLBALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL427298 0.71 TSHR (0.51) ALDH1A1KDM4ESMN1; SMN2RAB9AMAPT
SCHEMBL425856 0.70 CNR2 (0.39) POLBALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL425575 0.69 BCHE (0.56) POLBALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL427749 0.68 NPC1 (0.56) POLBALDH1A1KDM4ESMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 POLB 2792/4885ALDH1A1 294/4885KDM4E 1982/4885

“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.