SCHEMBL6487165

SCHEMBL6487165

CN1CCC(N(C)C(=O)C=Cc2c(-c3ccccc3)n(C)c3ncccc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MITF O75030 1/20 0.43
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.43
HTR2A P28223 4/20 0.42
HTR2C P28335 4/20 0.42
DRD2 P14416 2/20 0.42
HTR2B P41595 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
POLB P06746 3/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL6487159 1.00 ABCB1 (0.45) ABCB1SMN1; SMN2ALDH1A1KDM4EMITF
SCHEMBL6478016 0.79 ABCB1 (0.48) ABCB1SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL6478007 0.79 ABCB1 (0.48) ABCB1SMN1; SMN2ALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL6489162 0.74 ABCB1 (0.51) ABCB1SMN1; SMN2ALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL6489156 0.74 ABCB1 (0.51) ABCB1SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL6487256 0.73 ABCB1 (0.43) ABCB1SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL6487252 0.73 ABCB1 (0.43) ABCB1SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL6477755 0.73 ABCB1 (0.47) ABCB1SMN1; SMN2ALDH1A1KDM4ECYP3A4
SCHEMBL6477752 0.73 ABCB1 (0.47) ABCB1SMN1; SMN2ALDH1A1KDM4ECYP3A4
SCHEMBL30373546 0.71 ALDH1A1 (0.46) ABCB1SMN1; SMN2ALDH1A1POLBTSHR

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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US claimed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 EP claimed
US-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 EP 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-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation TGFBR1, TGFBR2, TGFB1 ABCB1 2911/4885SMN1; SMN2 3783/4885ALDH1A1 2521/4885

“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.