SCHEMBL13131047

SCHEMBL13131047

COc1ccc(N2CCC3(CC2)CCN(C(C)(C)C)C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.47
▸ HTR3B O95264 1/20 0.47
▸ ADRB1 P08588 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ HTR3D Q70Z44 1/20 0.47
▸ HTR3C Q8WXA8 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ CYP3A4 P08684 6/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.46
▸ USP2 O75604 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ CYP1A2 P05177 3/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CYP2C9 P11712 5/20 0.42
▸ MAPK1 P28482 4/20 0.42
▸ HIF1A Q16665 4/20 0.42

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
SCHEMBL11947821 0.82 HTR3E (0.42) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL11947827 0.82 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1KMT2ADRD2MAPT
SCHEMBL2629501 0.81 USP2 (0.51) CYP3A4SMN1; SMN2USP2ALDH1A1CYP1A2
SCHEMBL14996536 0.80 HTR3E (0.51) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL11947830 0.79 CA12 (0.41) CYP3A4USP2CYP1A2CYP2D6DRD2
SCHEMBL12631541 0.79 HTR3E (0.58) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL11947818 0.79 CYP2C9 (0.52) CYP3A4SMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL13131049 0.78 KDM4E (0.46) SMN1; SMN2USP2CYP2D6TSHRTP53
SCHEMBL13168435 0.77 DRD2 (0.54) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL485392 0.75 CYP11B2 (0.54) CYP3A4SMN1; SMN2USP2ALDH1A1CYP1A2

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-8748070-B2 Thiol group-containing charge transporting material, thiol group-containing charge transporting material-dissolving solution, photoelectric conversion device, electrophotographic photoreceptor, image forming apparatus, and process cartridge FUJI XEROX CO., LTD. (JP) 2014-06-10 — — US disclosed
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 — — US disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 — — 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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HTR3E 1331/4885HTR3B 1438/4885ADRB1 78/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HTR3E 1331/4885HTR3B 1438/4885ADRB1 78/4885

“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.

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