SCHEMBL427358

SCHEMBL427358

O=C(N1CCOCC1)n1cnc(-c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.50
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
AKR1C3 P42330 3/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
DRD4 P21917 3/20 0.46
HDAC1 Q13547 1/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
HTR7 P34969 2/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL424464 0.85 ALDH1A1 (0.51) ALDH1A1LMNA
SCHEMBL427298 0.82 TSHR (0.51) AKR1C3CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL425711 0.82 AKR1C3 (0.49) AKR1C3CYP2C9CYP2C19MAPT
SCHEMBL424466 0.80 FAAH (0.55) ALDH1A1LMNA
SCHEMBL7899150 0.79 DGAT1 (0.49) DGAT1HTR2AHTR2CHTR2BDRD4
SCHEMBL425498 0.79 FAAH (0.58) AKR1C3CYP2C9CYP2C19USP2MAPT
SCHEMBL425576 0.78 LIPE (0.56) AKR1C3CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL424475 0.73 SMN1; SMN2 (0.53) HDAC1MAPTALDH1A1LMNAHTT
SCHEMBL425575 0.73 BCHE (0.56) AKR1C3USP2MAPTALDH1A1LMNA
SCHEMBL427640 0.72 KMT2A (0.43) DGAT1

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 DGAT1 128/4885HTR2A 711/4885HTR2C 568/4885

“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.