SCHEMBL13877347

SCHEMBL13877347

Cc1ccc([C@@H](C)N)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 3/20 0.43
TRPA1 O75762 1/20 0.41
PTGS1 P23219 1/20 0.41
CACNA1C Q13936 1/20 0.41
PDE2A O00408 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 5/20 0.35
HPGD P15428 1/20 0.34
RECQL P46063 4/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 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
SCHEMBL13128971 1.00 ADRB2 (0.46) ADRB2ALDH1A1LMNATRPA1PTGS1
SCHEMBL3650358 1.00 ADRB2 (0.46) ADRB2ALDH1A1LMNATRPA1PTGS1
Hydrochloric Acid SCHEMBL4223637 0.98 ADRB2 (0.44) ADRB2ALDH1A1LMNATRPA1PTGS1
Hydrochloric Acid SCHEMBL7780522 0.98 ADRB2 (0.44) ADRB2ALDH1A1LMNATRPA1PTGS1
SCHEMBL754092 0.82 ALDH1A1 (0.46) ADRB2ALDH1A1LMNATRPA1PTGS1
SCHEMBL4604444 0.82 ALDH1A1 (0.46) ALDH1A1LMNATRPA1PTGS1CACNA1C
SCHEMBL24495400 0.81 LMNA (0.45) ADRB2ALDH1A1LMNATRPA1PTGS1
SCHEMBL16392261 0.81 ALDH1A1 (0.50) ADRB2ALDH1A1LMNATRPA1PTGS1
SCHEMBL4368719 0.81 ALDH1A1 (0.50) ADRB2ALDH1A1LMNATRPA1PTGS1
SCHEMBL21817350 0.79 ADRB2 (0.46) ADRB2LMNAPTGS1PDE2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099195-A1 Therapeutic Compounds 570 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
WO-2008136756-A1 PYRROLOPYRIMIDIN-7-ONE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS ASTRAZENECA AB (SE) 2008-11-13 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-20090099195-A1 Therapeutic Compounds 570 OPRL1, OPRK1, OPRM1 ADRB2 207/4885ALDH1A1 245/4885LMNA 4019/4885

“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.