SCHEMBL13877362

SCHEMBL13877362

C[C@@H](N)c1ccc(C2CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.48
ESR2 Q92731 3/20 0.42
PDE2A O00408 3/20 0.39
ALDH1A1 P00352 1/20 0.38
FFAR1 O14842 1/20 0.37
APP P05067 1/20 0.37
POLB P06746 1/20 0.37
HSD11B1 P28845 2/20 0.36
ACACB O00763 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
NAAA Q02083 1/20 0.35
CYP2C9 P11712 2/20 0.35
ESR1 P03372 1/20 0.35
CYP3A4 P08684 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
SCHEMBL9989135 1.00 ADRB2 (0.48) ADRB2ESR2PDE2AALDH1A1FFAR1
SCHEMBL29342719 1.00 ADRB2 (0.48) ADRB2ESR2PDE2AALDH1A1FFAR1
Hydrochloric Acid SCHEMBL27777897 0.98 ADRB2 (0.46) ADRB2ESR2PDE2AALDH1A1FFAR1
Hydrochloric Acid SCHEMBL4223688 0.98 ADRB2 (0.46) ADRB2ESR2PDE2AALDH1A1FFAR1
Hydrochloric Acid SCHEMBL29227873 0.98 ADRB2 (0.46) ADRB2ESR2PDE2AALDH1A1FFAR1
SCHEMBL4363946 0.91 ALDH1A1 (0.46) ADRB2ALDH1A1APPNAAA
Hydrochloric Acid SCHEMBL11738212 0.90 ALDH1A1 (0.49) ADRB2ALDH1A1APPNAAA
SCHEMBL9931641 0.86 SLC18A3 (0.52) ADRB2
SCHEMBL9482397 0.79 HTR3A (0.56)
SCHEMBL25483283 0.77 ESR2 (0.42) ESR2PDE2AALDH1A1FFAR1APP

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-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 207/4885ESR2 1320/4885PDE2A 334/4885

“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.