SCHEMBL2605317

SCHEMBL2605317

O=C(N[C@H](c1ccccc1)C12CCC(CC1)N2)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.57
CYP3A4 P08684 18/20 0.55
ALDH1A1 P00352 11/20 0.55
TSHR P16473 10/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
CASP1 P29466 1/20 0.55
CYP2C9 P11712 16/20 0.54
CYP2C19 P33261 15/20 0.54
LMNA P02545 5/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
CYP1A2 P05177 14/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP2D6 P10635 12/20 0.52
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL2605313 0.85 CYP3A4 (0.47) CYP3A4ALDH1A1TSHRSMN1; SMN2CASP1
SCHEMBL2123535 0.81 SLC6A9 (0.73) SLC6A9TSHRCYP2C9LMNAMAPT
SCHEMBL3711814 0.77 CYP3A4 (0.54) CYP3A4ALDH1A1TSHRSMN1; SMN2CASP1
SCHEMBL2605318 0.75 SLC6A9 (0.60) SLC6A9CYP3A4ALDH1A1TSHRSMN1; SMN2
SCHEMBL2605303 0.73 SLC6A9 (1.00) SLC6A9
SCHEMBL25362431 0.71 DDB1 (0.57) CYP3A4ALDH1A1TSHRSMN1; SMN2CYP2C9
SCHEMBL2605383 0.70 SLC6A9 (0.64) SLC6A9
SCHEMBL19062411 0.70 CTRB1 (0.62) ALDH1A1SMN1; SMN2LMNACYP1A2HTT
SCHEMBL7759900 0.70 CTRB1 (0.57) CYP3A4ALDH1A1TSHRSMN1; SMN2CASP1
Hydrochloric Acid SCHEMBL25363780 0.70 DDB1 (0.56) ALDH1A1TSHRSMN1; SMN2KMT2AMAPK1

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-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2012-04-19 US disclosed
US-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2012-04-19 US disclosed
WO-2010087762-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF ASTRAZENECA AB (SE) 2010-08-05 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-20120094995-A1 2-AZA-BICYCLO[2.2.1]HEPTANE COMPOUNDS AND USES THEREOF SLC1A2, B4GALT1, SLC6A1 SLC6A9 50/4885CYP3A4 838/4885ALDH1A1 754/4885

“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.