SCHEMBL5408982

SCHEMBL5408982

CCOC(=O)C1CNCCN1c1ccc(F)cc1C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.57
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
HTR7 P34969 1/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.38
ATM Q13315 1/20 0.38
CDK9 P50750 1/20 0.38
RECQL P46063 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL5401386 0.91 TACR1 (0.48) TACR1ALDH1A1TDP1HTR2CHTR2B
SCHEMBL5384916 0.84 TACR1 (0.59) TACR1HTR2CHTR2BHTR7
SCHEMBL6651268 0.84 TACR1 (0.51) TACR1HTR2CHTR2BHTR7CDK9
SCHEMBL5388810 0.83 ALDH1A1 (0.42) TACR1ALDH1A1TDP1MAPTPKM
SCHEMBL5400718 0.81 TACR1 (0.50) TACR1HTR2CHTR2BHTR7MAPT
SCHEMBL5400714 0.81 TACR1 (0.50) TACR1HTR2CHTR2BHTR7MAPT
SCHEMBL5390197 0.80 ALDH1A1 (0.41) TACR1ALDH1A1TDP1HTR2CHTR2B
SCHEMBL3339129 0.80 ALDH1A1 (0.42) TACR1ALDH1A1TDP1HTR7MAPT
SCHEMBL8944811 0.76 MAPT (0.49) ALDH1A1MAPTPKM
SCHEMBL5390992 0.75 MAPT (0.44) ALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214680-B2 2-substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2007-05-08 US disclosed
EP-1423117-B1 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2005-10-19 EP disclosed
US-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2004-12-02 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-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors SLC6A4, TPH1, HTR1D TACR1 49/4885ALDH1A1 1543/4885TDP1 3043/4885

“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.