SCHEMBL9218378

SCHEMBL9218378

CCOC(=O)CCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.64
BCHE P06276 7/20 0.64
CACNA1F O60840 1/20 0.61
CACNA1D Q01668 1/20 0.61
CACNA1S Q13698 1/20 0.61
CACNA1C Q13936 1/20 0.61
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
CHRM3 P20309 1/20 0.55

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
SCHEMBL15229315 0.90 ACHE (0.59) ACHEBCHECACNA1FCACNA1DCACNA1S
SCHEMBL8809184 0.87 DRD2 (0.61) ACHEBCHEDRD2DRD4
Hydrochloric Acid SCHEMBL9536536 0.86 DRD2 (0.60) ACHEBCHEDRD2DRD4
SCHEMBL7061358 0.85 ACHE (0.55) ACHEBCHECACNA1FCACNA1DCACNA1S
SCHEMBL27406753 0.85 ACHE (0.66) ACHEBCHECACNA1FCACNA1DCACNA1S
SCHEMBL1138416 0.82 ACHE (0.76) ACHEBCHECHRM3
SCHEMBL9631914 0.82 BCHE (0.54) ACHEBCHECACNA1FCACNA1DCACNA1S
SCHEMBL7282881 0.81 SMN1; SMN2 (0.60) ACHEBCHECACNA1FCACNA1DCACNA1S
SCHEMBL8616520 0.81 L3MBTL1 (0.65)
SCHEMBL608528 0.81 ALDH1A1 (0.76)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2820021-B1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO LTD (KR) 2016-11-30 EP disclosed
EP-2820021-B1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO LTD (KR) 2016-11-30 EP disclosed
US-9481684-B2 Gonadotropin releasing hormone receptor antagonists, method for the preparation thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2016-11-01 US disclosed
US-9481684-B2 Gonadotropin releasing hormone receptor antagonists, method for the preparation thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2016-11-01 US disclosed
US-9481684-B2 Gonadotropin releasing hormone receptor antagonists, method for the preparation thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2016-11-01 US disclosed
US-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2015-06-18 US disclosed
US-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2015-06-18 US disclosed
US-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2015-06-18 US disclosed
EP-2820021-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK Chemicals Co., Ltd. (KR) 2015-01-07 EP disclosed
WO-2013129879-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2013-09-06 WO disclosed
WO-2013129879-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2013-09-06 WO disclosed
EP-0320032-B1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA NV (BE) 1995-01-18 EP disclosed
US-5231184-A Viricide intermediate JANSSEN PHARMACEUTICA N.V. (BE) 1993-07-27 US disclosed
US-5106973-A Viricide intermediates JANSSEN PHARMACEUTICA N.V. (BE) 1992-04-21 US disclosed
US-4992433-A Viricides JANSSEN PHARMACEUTICA N.V. (BE) 1991-02-12 US disclosed
EP-0320032-A1 Pyridizinamine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1989-06-14 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-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GNRHR, FSHR, GHRHR ACHE 3495/4885BCHE 3461/4885CACNA1F 2825/4885

“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.