SCHEMBL515587

SCHEMBL515587

O=C(O)C1CCC2(CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
GRM2 Q14416 2/20 0.42
GRM3 Q14832 2/20 0.42
GRM4 Q14833 2/20 0.42
TSHR P16473 2/20 0.42
GRM5 P41594 2/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRM8 O00222 1/20 0.42
GRM6 O15303 1/20 0.42
MTOR P42345 1/20 0.42
GRM1 Q13255 1/20 0.42
PLCB1 Q9NQ66 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41

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
Hydrochloric Acid SCHEMBL11636408 0.98 CYP2C19 (0.42) CYP2C19GRM2GRM3GRM4TSHR
SCHEMBL8810863 0.98 CYP2C19 (0.46) CYP2C19GRM2GRM3GRM4TSHR
SCHEMBL4532840 0.93 CYP2C19 (0.46) CYP2C19GRM2GRM3GRM4TSHR
SCHEMBL8004566 0.90 CYP2C19 (0.52) CYP2C19GRM2GRM3GRM4TSHR
SCHEMBL848416 0.87 CYP2C19 (0.50) CYP2C19GRM2GRM3GRM4TSHR
SCHEMBL4072778 0.86 CYP2C19 (0.52) CYP2C19GRM2GRM3GRM4TSHR
SCHEMBL3021254 0.84 CYP2C19 (0.54) CYP2C19GRM2GRM3GRM4TSHR
SCHEMBL23603993 0.79 CYP2C19 (0.42) CYP2C19GRM2GRM3GRM4TSHR
SCHEMBL10019498 0.79 GRM5 (0.39) GRM5ITGB3ITGA2B
SCHEMBL7692038 0.79 GRM5 (0.39) GRM5ITGB3ITGA2B

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107687-A1 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 WO disclosed
WO-2022223033-A1 SOS1 DEGRADING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 WO disclosed
WO-2022223034-A1 SOS1 DEGRADATION AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海领泰生物医药科技有限公司 2022-10-27 WO disclosed
US-9453005-B2 Inhibition of influenza M2 proton channel THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-09-27 US disclosed
US-9453005-B2 Inhibition of influenza M2 proton channel THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-09-27 US disclosed
US-9403839-B2 Pyran-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-08-02 US disclosed
US-9403777-B2 Inhibitors of the influenza A virus M2 proton channel THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-08-02 US disclosed
US-9403777-B2 Inhibitors of the influenza A virus M2 proton channel THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-08-02 US disclosed
US-9403777-B2 Inhibitors of the influenza A virus M2 proton channel THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-08-02 US disclosed
EP-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 EP disclosed
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-20110288111-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-11-24 US disclosed
US-20110288111-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-11-24 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
WO-2010033339-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-03-25 WO disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 US disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 US disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO disclosed
US-4098823-A VASODILATION, HYPOTENSIVE AGENTS, ANTICOAGULATNS, ANTISECRETORY AGENTS, INOTROPIC AGENTS MILES LABORATORIES, INC. (US) 1978-07-04 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 (3 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-20090275523-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CYP2C19 510/4885GRM2 4340/4885GRM3 4315/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CYP2C19 510/4885GRM2 4340/4885GRM3 4315/4885
US-20110288111-A1 INHIBITION OF INFLUENZA M2 PROTON CHANNEL HVCN1, TRPM2, ASIC1 CYP2C19 2489/4885GRM2 536/4885GRM3 1026/4885

“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.