SCHEMBL427298

SCHEMBL427298

O=C(N1CCOCC1)n1cnc(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.49
CYP2C9 P11712 2/20 0.49
AKR1C3 P42330 2/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 7/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
PTGS2 P35354 1/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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 0.86 LIPE (0.56) TSHRHTTCYP2C9AKR1C3CYP2C19
SCHEMBL425498 0.85 FAAH (0.58) TSHRCYP2C9AKR1C3CYP2C19ALDH1A1
SCHEMBL425575 0.83 BCHE (0.56) AKR1C3ALDH1A1RAB9ANPC1PTGS2
SCHEMBL427358 0.82 DGAT1 (0.50) HTTCYP2C9AKR1C3CYP2C19ALDH1A1
SCHEMBL425711 0.81 AKR1C3 (0.49) CYP2C9AKR1C3CYP2C19NPC1MAPT
SCHEMBL426880 0.80 SCN9A (0.42) ALDH1A1RAB9ANPC1HSD17B10KDM4E
SCHEMBL424464 0.79 ALDH1A1 (0.51) TSHRALDH1A1KDM4EFAAHMGLL
SCHEMBL427651 0.78 SCN7A (0.48) ALDH1A1RAB9ANPC1KDM4E
SCHEMBL424557 0.77 PARP10 (0.45) RAB9ANPC1HSD17B10KMT2A
SCHEMBL1916590 0.77 HDAC1 (0.47) CYP2C9CYP2C19ALDH1A1RAB9ANPC1

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 6 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-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
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 TSHR 2673/4885HTT 900/4885CYP2C9 273/4885

“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.