SCHEMBL2444405

SCHEMBL2444405

O=C(NCc1ccccc1)C1CCCNC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.70
USP2 O75604 1/20 0.70
HPGD P15428 1/20 0.70
MC4R P32245 2/20 0.61
HTR2C P28335 2/20 0.55
NPSR1 Q6W5P4 2/20 0.53
ALOX12 P18054 1/20 0.52
JAK3 P52333 1/20 0.52
DPP4 P27487 1/20 0.51
GAA P10253 1/20 0.51
AURKA O14965 1/20 0.51
RPS6KB1 P23443 1/20 0.51
AURKB Q96GD4 1/20 0.51
HTR2B P41595 1/20 0.50
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
F10 P00742 1/20 0.48

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
SCHEMBL4434645 1.00 ALDH1A1 (0.70) ALDH1A1USP2HPGDMC4RHTR2C
SCHEMBL31469959 0.91 ALDH1A1 (0.65) ALDH1A1USP2HPGDMC4RHTR2C
SCHEMBL27309933 0.91 ALDH1A1 (0.65) ALDH1A1USP2HPGDMC4RHTR2C
SCHEMBL2450751 0.91 ALDH1A1 (0.65) ALDH1A1USP2HPGDMC4RHTR2C
SCHEMBL1792830 0.86 MC4R (0.75) ALDH1A1USP2HPGDMC4RHTR2C
SCHEMBL2450367 0.86 HTR2C (0.56) ALDH1A1USP2HPGDHTR2CSMN1; SMN2
SCHEMBL29542019 0.86 HTR2C (0.53) ALDH1A1USP2HPGDHTR2CAURKA
SCHEMBL2450444 0.86 MC4R (0.58) ALDH1A1USP2HPGDMC4RALOX12
SCHEMBL14813679 0.86 MC4R (0.58) ALDH1A1USP2HPGDMC4RALOX12
SCHEMBL5508510 0.84 ALDH1A1 (0.56) ALDH1A1USP2HPGDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP claimed
US-20220213055-A1 SUBSTITUTED (PIPERIDIN-1-YL)ARYL ANALOGUES FOR MODULATING AVIL ACTIVITY UNIV VIRGINIA PATENT FOUNDATION (US) 2022-07-07 US disclosed
US-20220213055-A1 SUBSTITUTED (PIPERIDIN-1-YL)ARYL ANALOGUES FOR MODULATING AVIL ACTIVITY UNIV VIRGINIA PATENT FOUNDATION (US) 2022-07-07 US disclosed
US-11306078-B2 Piperidine CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD. (CH) 2022-04-19 US disclosed
EP-3962485-A1 SUBSTITUTED (PIPERIDIN-1-YL)ARYL ANALOGUES FOR MODULATING AVILACTIVITY University Of Virginia Patent Foundation (US) 2022-03-09 EP disclosed
WO-2020223715-A1 SUBSTITUTED (PIPERIDIN-1-YL)ARYL ANALOGUES FOR MODULATING AVILACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-11-05 WO disclosed
WO-2020223715-A1 SUBSTITUTED (PIPERIDIN-1-YL)ARYL ANALOGUES FOR MODULATING AVILACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2020-11-05 WO disclosed
US-9783796-B2 Amidase, gene for the same, vector, transformant, and method for production of optically active carboxylic acid amide and optically active carboxylic acid by using any one of those items KANEKA CORPORATION (JP) 2017-10-10 US disclosed
EP-2128258-B1 NOVEL AMIDASE, GENE FOR THE SAME, VECTOR, TRANSFORMANT, AND METHOD FOR PRODUCTION OF OPTICALLY ACTIVE CARBOXYLIC ACID AMIDE AND OPTICALLY ACTIVE CARBOXYLIC ACID BY USING ANY ONE OF THOSE ITEMS KANEKA CORP (JP) 2013-09-11 EP disclosed
US-20130059348-A1 NOVEL AMIDASE, GENE FOR THE SAME, VECTOR, TRANSFORMANT, AND METHOD FOR PRODUCTION OF OPTICALLY ACTIVE CARBOXYLIC ACID AMIDE AND OPTICALLY ACTIVE CARBOXYLIC ACID BY USING ANY ONE OF THOSE ITEMS KANEKA CORPORATION (JP) 2013-03-07 US disclosed
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP disclosed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO disclosed
EP-2128258-A1 NOVEL AMIDASE, GENE FOR THE SAME, VECTOR, TRANSFORMANT, AND METHOD FOR PRODUCTION OF OPTICALLY ACTIVE CARBOXYLIC ACID AMIDE AND OPTICALLY ACTIVE CARBOXYLIC ACID BY USING ANY ONE OF THOSE ITEMS Kaneka Corporation (JP) 2009-12-02 EP disclosed
WO-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 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-11306078-B2 Piperidine CXCR7 receptor modulators CXCR1, CXCR5, ACKR3 ALDH1A1 434/4885USP2 2436/4885HPGD 1895/4885
US-20220213055-A1 SUBSTITUTED (PIPERIDIN-1-YL)ARYL ANALOGUES FOR MODULATING AVIL ACTIVITY VCL, VPS28, HDLBP ALDH1A1 1890/4885USP2 2199/4885HPGD 4037/4885

“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.