SCHEMBL3140656

SCHEMBL3140656

CC1(C)CC(=NO)CC(C)(C)N1Cc1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AMPD2 Q01433 1/20 0.37
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TSHR P16473 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
GAA P10253 2/20 0.33
TP53 P04637 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.33
CTBP2 P56545 1/20 0.33

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
SCHEMBL3144024 0.78 AMPD2 (0.40) AMPD2DRD2DRD4ALDH1A1KDM4E
SCHEMBL11807403 0.74 KDM4E (0.46) AMPD2ALDH1A1KDM4ESIGMAR1LMNA
SCHEMBL3136334 0.70 AMPD2 (0.39) AMPD2DRD2DRD4ALDH1A1KDM4E
SCHEMBL20705177 0.70 TSHR (0.40) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL6943510 0.68 ALDH1A1 (0.56) DRD2DRD4ALDH1A1KDM4EMEN1
SCHEMBL18096335 0.68 MEN1 (0.46) AMPD2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL11458880 0.65 LMNA (0.36) AMPD2DRD2DRD4ALDH1A1KDM4E
SCHEMBL16749120 0.65 CCR3 (0.57) DRD2DRD4SIGMAR1POLB
SCHEMBL11784258 0.65 KMT2A (0.40) AMPD2ALDH1A1MEN1KMT2A
SCHEMBL1114448 0.64 ALDH1A1 (0.50) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US disclosed
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 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 (1 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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 AMPD2 2117/4885DRD2 1167/4885DRD4 1249/4885

“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.