SCHEMBL6750339

SCHEMBL6750339

COC(=O)Cc1ccc(C2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
MAPT P10636 1/20 0.47
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NAMPT P43490 1/20 0.43
MMP9 P14780 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LIMK2 P53671 1/20 0.42
HTR2C P28335 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
SCHEMBL925686 0.89 CYP4F2 (0.56) CYP4F2CYP4A11MAPTGAAALDH1A1
SCHEMBL21411396 0.86 CYP4F2 (0.53) CYP4F2CYP4A11MAPTGAAALDH1A1
SCHEMBL16661094 0.85 ESR2 (0.45) MAPTSMN1; SMN2SLC18A3SIGMAR1
SCHEMBL11674790 0.84 RORC (0.52) CYP4F2CYP4A11MAPTGAAALDH1A1
SCHEMBL11564250 0.84 RORC (0.52) CYP4F2CYP4A11MAPTGAAALDH1A1
SCHEMBL31263875 0.83 HTR2C (0.54) GAAALDH1A1SLC18A3SIGMAR1HTR2C
Hydrochloric Acid SCHEMBL9409381 0.83 HRH3 (0.44) ALDH1A1SMN1; SMN2NAMPTHTR2C
SCHEMBL3942448 0.83 HTR2C (0.54) GAAALDH1A1SLC18A3SIGMAR1HTR2C
SCHEMBL31579906 0.82 MMP9 (0.54) CYP4F2CYP4A11MAPTGAAALDH1A1
SCHEMBL15054359 0.81 SLC18A3 (0.53) GAASLC18A3SIGMAR1NAMPTLIMK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785690-B1 PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2016-07-13 EP disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
EP-2785690-A1 PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2014-10-08 EP disclosed
US-8759528-B2 Piperidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759528-B2 Piperidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-8759528-B2 Piperidine derivatives, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-24 US disclosed
US-20130143876-A1 New piperidine derivatives, pharmaceutical compositions and uses thereof ROTH GERALD JUERGEN (DE) 2013-06-06 US disclosed
WO-2013079668-A1 PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 WO disclosed
US-20130143876-A1 New piperidine derivatives, pharmaceutical compositions and uses thereof ROTH GERALD JUERGEN (DE) 2013-06-06 US disclosed
WO-2013079668-A1 PIPERIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 WO disclosed
US-20130143876-A1 New piperidine derivatives, pharmaceutical compositions and uses thereof ROTH GERALD JUERGEN (DE) 2013-06-06 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 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 (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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 CYP4F2 264/4885CYP4A11 131/4885MAPT 1257/4885
US-20130143876-A1 New piperidine derivatives, pharmaceutical compositions and uses thereof P2RX5, PIR, P2RX4 CYP4F2 2257/4885CYP4A11 1993/4885MAPT 2067/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 CYP4F2 4236/4885CYP4A11 2910/4885MAPT 4564/4885

“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.