SCHEMBL378609

SCHEMBL378609

CCOC(=O)C1CCN(CC2CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.57
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL6990807 0.84 MAPT (0.62) MAPTALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL15569388 0.84 MAPT (0.62) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL2061231 0.83 LMNA (0.55) MAPTALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL8356885 0.82 ALDH1A1 (0.53) MAPTALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL6960026 0.82 ALDH1A1 (0.53) MAPTALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL8356716 0.81 MAPT (0.51) MAPTALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL4172495 0.81 MAPT (0.58) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL25697926 0.81 MAPT (0.58) MAPTALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL9829974 0.79 ALDH1A1 (0.45) MAPTALDH1A1KDM4ESMN1; SMN2POLB
Hydrochloric Acid SCHEMBL5071255 0.79 MAPT (0.57) MAPTALDH1A1KDM4ESMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
EP-2408745-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2012-01-25 EP disclosed
EP-2292621-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2011-03-09 EP disclosed
EP-2264037-A1 Vasopressin v1a antagonists Vantia Limited (GB) 2010-12-22 EP disclosed
EP-2256119-A1 Vasopressin V1a antagonists Vantia Limited (GB) 2010-12-01 EP disclosed
WO-2010106081-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-23 WO disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
EP-0490962-A1 ANTIPSYCHOTIC 1-CYCLOALKYLPIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-06-24 EP disclosed
WO-1991003243-A1 ANTIPSYCHOTIC 1-CYCLOALKYLPIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-03-21 WO 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-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B MAPT 4727/4885ALDH1A1 902/4885KDM4E 2842/4885

“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.