SCHEMBL3154239

SCHEMBL3154239

CO[C@@]1(COc2ccccc2C#N)CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
THRB P10828 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
MAOA P21397 1/20 0.39
HTR2B P41595 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL4760914 0.82 ALDH1A1 (0.43) ALDH1A1HPGDTSHRNPC1RAB9A
SCHEMBL3153812 0.82 ALDH1A1 (0.43) ALDH1A1HPGDTSHRNPC1RAB9A
SCHEMBL19527776 0.78 DHFR (0.46) ALDH1A1HPGDTSHRNPC1RAB9A
SCHEMBL19527479 0.72 TP53 (0.41) ALDH1A1HPGDTSHRNPC1RAB9A
SCHEMBL30079702 0.72 SMN1; SMN2 (0.42) ALDH1A1HPGDTSHRNPC1RAB9A
SCHEMBL29530857 0.71 GAA (0.51) ALDH1A1HPGDTSHRNPC1RAB9A
SCHEMBL18587828 0.71 GAA (0.51) ALDH1A1HPGDTSHRNPC1RAB9A
SCHEMBL10887533 0.70 POLB (0.44) ALDH1A1HPGDTSHRNPC1RAB9A
SCHEMBL5451 0.70 SMN1; SMN2 (0.51) ALDH1A1HPGDTSHRNPC1RAB9A
SCHEMBL30283197 0.70 SMN1; SMN2 (0.51) ALDH1A1HPGDTSHRNPC1RAB9A

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 1 patent. 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

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 ALDH1A1 260/4885HPGD 713/4885TSHR 2734/4885

“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.