SCHEMBL4530232

SCHEMBL4530232

Cc1cc(N2CCCC2)c(NC(=O)CN2CCN(CCSc3nc4ccccc4[nH]3)CC2)c(N2CCCC2)n1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 9/20 0.68
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45
CACNA1G O43497 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
SCHEMBL4515333 0.93 SOAT1 (0.65) SOAT1ALDH1A1RAB9AMAPTHTT
SCHEMBL4518624 0.83 SOAT1 (0.68) SOAT1RAB9ASMN1; SMN2LMNA
SCHEMBL4530498 0.82 SOAT1 (0.67) SOAT1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL29845569 0.81 SOAT1 (1.00) SOAT1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL960484 0.81 SOAT1 (1.00) SOAT1TSHRCYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL29972967 0.80 SOAT1 (1.00) SOAT1TSHRCYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL1704627 0.80 SOAT1 (1.00) SOAT1TSHRCYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL6283825 0.80 SOAT1 (1.00) SOAT1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL16696509 0.80 SOAT1 (0.85) SOAT1TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL6102306 0.79 SOAT1 (0.78) SOAT1TSHRCYP1A2CYP2D6CYP2C19

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 1314/4885TSHR 4104/4885CYP1A2 966/4885
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS HDHD5, DDC, DDT SOAT1 1023/4885TSHR 4300/4885CYP1A2 1679/4885

“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.