SCHEMBL16291431

SCHEMBL16291431

O=[C]C1CCC(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 3/20 0.48
▸ SIGMAR1 Q99720 1/20 0.48
▸ AKR1C3 P42330 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ GRIN2B Q13224 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DRD2 P14416 1/20 0.39

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
SCHEMBL6836383 0.88 AKR1C3 (0.52) SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B
SCHEMBL190417 0.81 SLC18A3 (0.67) SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B
SCHEMBL41763 0.81 — —
SCHEMBL10343084 0.78 SLC18A3 (0.48) SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B
SCHEMBL1399533 0.78 SLC18A3 (0.48) SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B
Benzene SCHEMBL23070411 0.78 SLC18A3 (0.64) SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B
Hydrochloric Acid SCHEMBL29241797 0.78 SLC18A3 (0.64) SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B
Hydrogen Peroxide SCHEMBL2353767 0.78 SLC18A3 (0.64) SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B
Ammonia Solution, Strong SCHEMBL3932661 0.78 SLC18A3 (0.64) SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B
Bicarbonate SCHEMBL7573346 0.77 AKR1C3 (0.63) SLC18A3SIGMAR1AKR1C3AKR1C1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 — — US claimed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 — — US claimed
US-11034725-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2021-06-15 — — US disclosed
US-10787484-B2 Compositions and methods for treating cardiovascular disease GENENTECH, INC. (US) 2020-09-29 — — US disclosed
US-20200283478-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2020-09-10 — — US disclosed
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE GENENTECH, INC. (US) 2019-06-13 — — US disclosed
US-9926325-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2018-03-27 — — US disclosed
US-20140371218-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2014-12-18 — — 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 (5 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-20140371218-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 SLC18A3 485/4885SIGMAR1 568/4885AKR1C3 461/4885
US-20200283478-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 SLC18A3 4817/4885SIGMAR1 4878/4885AKR1C3 824/4885
US-11034725-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 SLC18A3 4817/4885SIGMAR1 4878/4885AKR1C3 824/4885
US-10787484-B2 Compositions and methods for treating cardiovascular disease PCSK9, PCSK7, PCSK6 SLC18A3 4817/4885SIGMAR1 4878/4885AKR1C3 824/4885
US-20190177366-A1 COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE PCSK9, PCSK7, PCSK6 SLC18A3 4817/4885SIGMAR1 4878/4885AKR1C3 824/4885

“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.

Send feedback