SCHEMBL3072398

SCHEMBL3072398

CCC(OC)Oc1ccccc1CCl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR1A P08908 1/20 0.35
IDO1 P14902 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
ATM Q13315 2/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32

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
SCHEMBL3155854 0.77 SLC6A2 (0.43) ALDH1A1TSHRPOLBMAPTNPSR1
SCHEMBL105847 0.74 IDO1 (0.57) ALDH1A1IDO1TAAR1CHRM2CHRM1
SCHEMBL10879375 0.74 TSHR (0.52) ALDH1A1TSHRATMMAPTGAA
SCHEMBL1434466 0.73 SLC6A2 (0.43) ALDH1A1POLBMAPTGAAPPARA
SCHEMBL15049434 0.72 IDO1 (0.55) ALDH1A1IDO1TAAR1CHRM2CHRM1
SCHEMBL467588 0.72 IDO1 (0.55) ALDH1A1IDO1TAAR1CHRM2CHRM1
SCHEMBL11143140 0.72 CA4 (0.44) ALDH1A1TSHRL3MBTL1MAPTCA4
SCHEMBL3149687 0.71 L3MBTL1 (0.60) ALDH1A1POLBL3MBTL1ATMMAPT
SCHEMBL9344689 0.71 CA1 (0.56) ADRA2AADRA2BADRA2CALDH1A1TSHR
SCHEMBL9626061 0.70 ADRA2C (0.53) ADRA2AADRA2BADRA2CALDH1A1HTR1A

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-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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-20070010511-A1 Organic compounds REN, ACE, ACE2 ADRA2A 153/4885ADRA2B 120/4885ADRA2C 44/4885

“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.