SCHEMBL8717879

SCHEMBL8717879

O=CN1CCN(c2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 2/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
ADRB1 P08588 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
DRD4 P21917 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CHIA Q9BZP6 1/20 0.49
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 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
SCHEMBL29998630 0.82 HTR3E (0.70) AKR1C3ALDH1A1LMNAHPGDHTT
SCHEMBL870704 0.82 HTR3E (0.70) AKR1C3ALDH1A1LMNAHPGDHTT
SCHEMBL13801242 0.82 CHRM2 (0.53) AKR1C3ALDH1A1LMNAHPGDHTT
SCHEMBL4052281 0.81 AKR1C3 (0.52) AKR1C3ALDH1A1LMNASMN1; SMN2HTR3E
SCHEMBL5692418 0.80 TRIM24 (0.68) ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL13632364 0.80 AKR1C3 (0.53) AKR1C3ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL28806387 0.80 ALDH1A1 (0.57) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL13632365 0.80 AKR1C3 (0.53) AKR1C3ALDH1A1SMN1; SMN2KMT2AMAPT
SCHEMBL10566136 0.80 MAPT (0.52) ALDH1A1LMNAHTTDRD4MEN1
SCHEMBL298844 0.80 ALDH1A1 (0.57) AKR1C3ALDH1A1LMNAHPGDHTT

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-5776936-A Marcfortine/paraherquamide derivatives useful as antiparasitic agents PHARMACIA & UPJOHN COMPANY (US) 1998-07-07 US claimed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
US-7157464-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2007-01-02 US disclosed
US-5776936-A Marcfortine/paraherquamide derivatives useful as antiparasitic agents PHARMACIA & UPJOHN COMPANY (US) 1998-07-07 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 (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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 AKR1C3 568/4885ALDH1A1 395/4885LMNA 4213/4885

“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.