SCHEMBL3145757

SCHEMBL3145757

Oc1ccccc1Cc1nnn[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.52
KEAP1 Q14145 1/20 0.43
MPO P05164 1/20 0.39
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
AKR1B1 P15121 1/20 0.37
CA12 O43570 3/20 0.36
CA2 P00918 3/20 0.36
IDO1 P14902 2/20 0.36
CYP1A2 P05177 1/20 0.35
CA9 Q16790 2/20 0.35
KCNMA1 Q12791 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
HKDC1 Q2TB90 1/20 0.35

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
SCHEMBL28302605 0.84 TAAR1 (0.44) HSPA5MPOCYP2D6TSHRHIF1A
SCHEMBL5816301 0.79 C1R (0.38) CYP2D6TAAR1IDO1CYP1A2
SCHEMBL7822927 0.79 TAAR1 (0.41) TSHRTAAR1CA12CA2IDO1
SCHEMBL9057228 0.79 AR (0.43) IDO1
SCHEMBL17002520 0.77 HTR1A (0.36) HSPA5MPOCYP2D6TSHRHIF1A
SCHEMBL12017477 0.76 AR (0.46) GAAMAPT
SCHEMBL1249225 0.76 ADRA2A (0.53) CYP2D6TAAR1CYP1A2LMNAGAA
SCHEMBL12017482 0.76 SLC6A4 (0.41) MAPTPKM
SCHEMBL2660074 0.76 ALDH1A1 (0.37) TSHRMAPT
SCHEMBL3149895 0.75 AR (0.47) TSHRTAAR1IDO1LMNAGAA

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 2 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
CN-101351448-A Novel 1-benzyl-4-piperidinamines for the treatment of COPD and asthma ASTRAZENECA AB (SE) 2009-01-21 CN 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 HSPA5 2011/4885KEAP1 152/4885MPO 999/4885

“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.