SCHEMBL5477616

SCHEMBL5477616

COc1cccc([C@]2(C(=O)NCc3ccccc3)CC[C@@H](NCc3ccc(-c4ccccc4)cc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
OPRL1 P41146 4/20 0.45
KCNH2 Q12809 2/20 0.45
OPRD1 P41143 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP13 P45452 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL5477620 1.00 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5483707 0.89 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1LMNACYP1A2
SCHEMBL5483702 0.89 ALDH1A1 (0.46) ALDH1A1RAB9ANPC1LMNACYP1A2
SCHEMBL5476038 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5476042 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5476044 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL5465983 0.86 ALDH1A1 (0.53) ALDH1A1OPRL1KCNH2MEN1KMT2A
SCHEMBL5465979 0.86 ALDH1A1 (0.53) ALDH1A1OPRL1KCNH2MEN1KMT2A
SCHEMBL5470962 0.86 ALDH1A1 (0.53) ALDH1A1OPRL1KCNH2MEN1KMT2A
SCHEMBL5466116 0.83 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1TSHRMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 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-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 ALDH1A1 2990/4885SMN1; SMN2 4689/4885RAB9A 1776/4885

“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.