SCHEMBL10137636

SCHEMBL10137636

CCOC(=O)C1=C(N[C@H](C)c2ccccc2)CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
NPY2R P49146 1/20 0.43
LMNA P02545 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
PPP1CA P62136 1/20 0.41
TP53 P04637 2/20 0.41
MMP8 P22894 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
MEN1 O00255 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL4431627 1.00 ALOX5 (0.50) ALOX5KDM4EALDH1A1POLBNPY2R
SCHEMBL4431629 1.00 ALOX5 (0.50) ALOX5KDM4EALDH1A1POLBNPY2R
SCHEMBL30782219 0.97 ALOX5 (0.50) ALOX5KDM4EALDH1A1POLBNPY2R
SCHEMBL18946078 0.84 SLC6A3 (0.46) KDM4EALDH1A1POLBLMNACYP1A2
SCHEMBL15420776 0.83 ALOX5 (0.47) ALOX5KDM4EALDH1A1POLBNPY2R
SCHEMBL18398628 0.83 ALOX5 (0.47) ALOX5KDM4EALDH1A1POLBNPY2R
SCHEMBL28511317 0.83 ALOX5 (0.47) ALOX5KDM4EALDH1A1POLBNPY2R
SCHEMBL6353091 0.83 ALOX5 (0.47) ALOX5KDM4EALDH1A1POLBNPY2R
SCHEMBL15420512 0.83 ALOX5 (0.47) ALOX5KDM4EALDH1A1POLBNPY2R
SCHEMBL22240437 0.83 ALOX5 (0.49) ALOX5KDM4EALDH1A1POLBNPY2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2019-06-18 US disclosed
US-8536198-B2 Piperidine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-17 US disclosed
US-8536198-B2 Piperidine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-17 US disclosed
EP-2173714-B1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2012-12-26 EP disclosed
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-01-26 US disclosed
US-7858737-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-12-28 US disclosed
US-20100222366-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-09-02 US disclosed
US-20100222366-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2010-09-02 US disclosed
WO-2009015166-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-29 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-10322998-B2 Heterogeneous foldamers containing α, β, and/or γ-amino acids DNPEP, PRKCSH, BCAT1 ALOX5 4743/4885KDM4E 4744/4885ALDH1A1 3234/4885
US-20100222366-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR2, CCR5, CXCR1 ALOX5 1655/4885KDM4E 4173/4885ALDH1A1 1541/4885
US-20120021530-A1 HETEROGENEOUS FOLDAMERS CONTAINING alpha, beta, and/or gamma-AMINO ACIDS DNPEP, PRKCSH, YWHAZ ALOX5 4738/4885KDM4E 4717/4885ALDH1A1 3160/4885

“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.