SCHEMBL4530498

SCHEMBL4530498

Cc1cc(N2CCCC2)c(NC(=O)CN2CCN(CCSc3nc4ccccc4o3)CC2)c(N2CCCC2)n1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 11/20 0.67
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL4507782 0.94 SOAT1 (0.65) SOAT1NPSR1ALDH1A1POLBRAB9A
SCHEMBL4526190 0.88 SOAT1 (0.68) SOAT1POLB
SCHEMBL4513155 0.86 SOAT1 (0.50) SOAT1CYP1A2CYP3A4GAACYP2D6
SCHEMBL6282739 0.83 SOAT1 (0.73) SOAT1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL4518624 0.83 SOAT1 (0.68) SOAT1POLBRAB9ASMN1; SMN2
SCHEMBL4530232 0.82 SOAT1 (0.68) SOAT1CYP1A2GAACYP2D6CYP2C19
SCHEMBL4526617 0.82 SOAT1 (0.67) SOAT1NPSR1ALDH1A1POLBRAB9A
SCHEMBL4513200 0.80 SOAT1 (1.00) SOAT1ALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL4529809 0.80 SOAT1 (0.49) SOAT1NPSR1ALDH1A1RAB9A
SCHEMBL4513121 0.80 SOAT1 (0.68) SOAT1ALDH1A1POLBRAB9ASMN1; SMN2

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-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US disclosed
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS KOWA CO., LTD. (JP) 2007-04-19 US disclosed
US-7176306-B2 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2007-02-13 US disclosed
EP-1571144-A1 HYDROXYALKYLATED CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2005-09-07 EP disclosed
US-20040176593-A1 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2004-09-09 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 (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-20040176593-A1 Hydroxyalkyl cyclic diamine compound DDC, AOC1, ODC1 SOAT1 1314/4885CYP1A2 966/4885CYP3A4 1100/4885
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS HDHD5, DDC, DDT SOAT1 1023/4885CYP1A2 1679/4885CYP3A4 1265/4885

“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.