SCHEMBL321916

SCHEMBL321916

C[C@]1(O)CC[C@@H](C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.48
LMNA P02545 3/20 0.43
GRM2 Q14416 2/20 0.43
GRM3 Q14832 2/20 0.43
GRM4 Q14833 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
GRM5 P41594 1/20 0.43
MTOR P42345 1/20 0.43
GRM1 Q13255 1/20 0.43
PLCB1 Q9NQ66 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42

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
SCHEMBL321917 1.00 APLNR (0.48) APLNRLMNAGRM2GRM3GRM4
SCHEMBL321915 1.00 APLNR (0.48) APLNRLMNAGRM2GRM3GRM4
SCHEMBL18970050 0.91 APLNR (0.41) APLNRLMNAGRM2GRM3GRM4
SCHEMBL2159223 0.86 GRM2 (0.50) APLNRLMNAGRM2GRM3GRM4
SCHEMBL15304339 0.86 GRM2 (0.50) APLNRLMNAGRM2GRM3GRM4
SCHEMBL16751017 0.86 GRM2 (0.50) APLNRLMNAGRM2GRM3GRM4
SCHEMBL15829254 0.82 APLNR (0.41) APLNRLMNAGRM2GRM3GRM4
SCHEMBL4443561 0.82 APLNR (0.56) APLNRLMNAGRM2GRM3GRM4
SCHEMBL15116706 0.80 ATP1A1 (0.40) APLNRGABRPGABRDGABRA1GABRB1
SCHEMBL18084128 0.80 ATP1A1 (0.40) APLNRGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250376482-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2025-12-11 US disclosed
US-12247036-B2 Tricyclic compounds for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2025-03-11 US disclosed
US-20240417410-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-12-19 US disclosed
EP-4469164-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2024-12-04 EP disclosed
WO-2024169914-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-08-22 WO disclosed
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2020-07-02 US disclosed
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-05-12 US disclosed
US-RE47302-E1 Peptide epoxyketone immunoproteasome inhibitors ONYX THERAPEUTICS INC. (US) 2019-03-19 US disclosed
EP-2863916-B1 SUBSTITUTED PYRIDINE SPLEEN TYROSINE KINASE (SYK) INHIBITORS MERCK SHARP & DOHME (US) 2018-07-18 EP disclosed
US-8470828-B2 Anellated pyridine compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
EP-2590984-A1 ANELLATED PYRIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-05-15 EP disclosed
EP-2582705-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F.HOFFMANN-LA ROCHE AG (CH) 2013-04-24 EP disclosed
EP-2513052-A1 PYRROLIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
WO-2012004206-A1 ANELLATED PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO disclosed
US-20120010201-A1 NOVEL ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-01-12 US disclosed
WO-2011161009-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-29 WO disclosed
US-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
WO-2011085886-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 WO disclosed
US-20110144081-A1 PYRROLIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-16 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 (9 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-20110144081-A1 PYRROLIDINE DERIVATIVES TACR1, OPRL1, SLC6A3 APLNR 786/4885LMNA 4722/4885GRM2 686/4885
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP APLNR 2144/4885LMNA 1921/4885GRM2 4049/4885
US-20250376482-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, TOP2B APLNR 2419/4885LMNA 974/4885GRM2 2773/4885
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP APLNR 2144/4885LMNA 1921/4885GRM2 4049/4885
US-20240417410-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, TOP2B APLNR 2419/4885LMNA 974/4885GRM2 2773/4885
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP APLNR 2144/4885LMNA 1921/4885GRM2 4049/4885
US-12247036-B2 Tricyclic compounds for the treatment of cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, TOP2B APLNR 2419/4885LMNA 974/4885GRM2 2773/4885
US-20120010201-A1 NOVEL ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A APLNR 434/4885LMNA 3772/4885GRM2 268/4885
US-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A APLNR 494/4885LMNA 3290/4885GRM2 301/4885

“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.