SCHEMBL5078432

SCHEMBL5078432

CC(C)(C)C1CC(C(=O)O)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
BTK Q06187 1/20 0.37
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.32
RIPK1 Q13546 1/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DPP4 P27487 1/20 0.32
POLB P06746 1/20 0.32
CYP2C19 P33261 2/20 0.31
TSHR P16473 1/20 0.31
NOTUM Q6P988 1/20 0.31
GRM2 Q14416 1/20 0.31
GABRR1 P24046 1/20 0.30

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
SCHEMBL21899858 0.88 LMNA (0.33) LMNARIPK1DPP4
SCHEMBL17963567 0.88 LMNA (0.33) LMNARIPK1DPP4
SCHEMBL17028505 0.86 SMN1; SMN2 (0.40) LMNAKDM4ENPSR1DPP4POLB
SCHEMBL3692470 0.83 DPP4 (0.32) LMNAHSD17B10DPP4
SCHEMBL2261406 0.83 DPP4 (0.35) LMNADPP4NOTUM
SCHEMBL2265355 0.83 ALDH1A1 (0.36) LMNADPP4NOTUM
SCHEMBL16456936 0.82 LMNA (0.33) LMNADPP4
SCHEMBL2424794 0.82 HPGD (0.42) LMNAHSD17B10HPGDDPP4TSHR
SCHEMBL28683454 0.81 MEN1 (0.31)
SCHEMBL4633549 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-27 US disclosed
US-20130225609-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
EP-1937265-A2 COMINATION OF A HYPNOTIC AGENT AND R(+)-ALPHA-(2,3-DIMETHOXY-PHENYL)-1-[2-(4-FLUOROPHENL)ETHYL]-4-PIPERIDINEMETHANOL AND THERAPEUTIC APPLICATION THEREOF Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
WO-2007024599-A2 COMINATION OF A HYPNOTIC AGENT AND R(+)-ALPHA-(2,3-DIMETHOXY-PHENYL)-1-[2-(4-FLUOROPHENL)ETHYL]-4-PIPERIDINEMETHANOL AND THERAPEUTIC APPLICATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 WO disclosed
EP-0888114-A1 USE OF (+)-$g(a)-(2,3-DIMETHOXYPHENYL)-1- 2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL IN TREATING DEPRESSIVE DISORDERS AND BIPOLAR DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1999-01-07 EP disclosed
WO-1997034603-A1 USE OF (+)-α-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL IN TREATING DEPRESSIVE DISORDERS AND BIPOLAR DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1997-09-25 WO disclosed
EP-0749309-A1 TREATMENT OF OBSESSIVE-COMPULSIVE DISORDERS WITH 5-HT 2? ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1996-12-27 EP disclosed
WO-1995024194-A1 TREATMENT OF OBSESSIVE-COMPULSIVE DISORDERS WITH 5-HT2 ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1995-09-14 WO disclosed
EP-0531410-A4 (+)--G(A)-(2,3-DIMETHOXYPHENYL)-1- 2-(4-FLUOROPHENYL)ETHYL)-4-PIPERIDINEMETHANOL 1993-05-26 EP disclosed
EP-0531410-A1 (+)-ALPHA-(2,3-DIMETHOXYPHENYL)-1-[2-(FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL. MERRELL DOW PHARMA (US) 1993-03-17 EP disclosed
WO-1991018602-A1 (+)-α-(2,3-DIMETHOXYPHENYL)-1-[2-(4-FLUOROPHENYL)ETHYL]-4-PIPERIDINEMETHANOL MERRELL DOW PHARMACEUTICALS INC. (US) 1991-12-12 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 (2 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-20140350035-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR- ANTAGONISTS PTGER4, PTGER1, PDE4A LMNA 4688/4885BTK 994/4885HSD17B10 3246/4885
US-20130225609-A1 COMBINATIONS OF MEDICAMENTS, CONTAINING PDE4-INHIBITORS AND EP4-RECEPTOR-ANTAGONISTS PTGER4, PTGER1, PDE4A LMNA 4688/4885BTK 994/4885HSD17B10 3246/4885

“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.