SCHEMBL3355871

SCHEMBL3355871

CCOC(=O)C1(Cc2ccc(F)cc2)CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.49
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 3/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
FPR2 P25090 1/20 0.43
PROKR1 Q8TCW9 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43

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 SCHEMBL5316810 0.99 OPRM1 (0.48) OPRM1KMT2AALDH1A1POLBLMNA
SCHEMBL13278520 0.89 OPRM1 (0.51) OPRM1KMT2AALDH1A1POLBLMNA
SCHEMBL16660444 0.86 POLB (0.62) OPRM1KMT2AALDH1A1POLBLMNA
SCHEMBL5810393 0.86 OPRM1 (0.40) OPRM1KMT2AALDH1A1LMNAMEN1
SCHEMBL25713297 0.86 POLB (0.52) OPRM1KMT2AALDH1A1POLBLMNA
SCHEMBL962133 0.86 OPRM1 (0.62) OPRM1KMT2AALDH1A1LMNAMEN1
SCHEMBL24529777 0.86 OPRM1 (0.46) OPRM1KMT2AALDH1A1POLBLMNA
SCHEMBL13268808 0.85 ALDH1A1 (0.65) OPRM1KMT2AALDH1A1POLBLMNA
Hydrochloric Acid SCHEMBL5810389 0.85 OPRM1 (0.39) OPRM1KMT2AALDH1A1LMNAMEN1
SCHEMBL16111685 0.84 OPRM1 (0.56) OPRM1KMT2AALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9266867-B2 Piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2016-02-23 US disclosed
EP-2697219-B1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2015-03-04 EP disclosed
EP-2697219-B1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET SOC CIV (FR) 2015-03-04 EP disclosed
US-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2014-04-10 US disclosed
WO-2012140020-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS BIOPROJET (FR) 2012-10-18 WO disclosed
EP-2511275-A1 Novel piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2012-10-17 EP disclosed
EP-2511275-A1 Novel piperidinyl monocarboxylic acids as S1P1 receptor agonists BIOPROJET (FR) 2012-10-17 EP disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-7576106-B2 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
US-7576106-B2 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
WO-2007073432-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-06-28 WO disclosed
WO-2007073432-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-06-28 WO disclosed
US-20070093467-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-26 US disclosed
US-20070093467-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-26 US disclosed
US-20070093467-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-26 US disclosed
WO-2007044885-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 WO disclosed
WO-2007044885-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 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 (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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 OPRM1 190/4885KMT2A 3495/4885ALDH1A1 903/4885
US-20070093467-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 OPRM1 33/4885KMT2A 4268/4885ALDH1A1 803/4885
US-20140099316-A1 NOVEL PIPERIDINYL MONOCARBOXYLIC ACIDS AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR2 OPRM1 588/4885KMT2A 2768/4885ALDH1A1 2152/4885

“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.