SCHEMBL545235

SCHEMBL545235

Oc1ccc(CN2CC3(COC3)C2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DBH P09172 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
CA2 P00918 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
POLB P06746 1/20 0.40
SLC2A1 P11166 1/20 0.38
P4HB P07237 4/20 0.38
KMT2A Q03164 2/20 0.38
KCNH2 Q12809 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DRD4 P21917 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
SCHEMBL30206331 0.82 SMN1; SMN2 (0.40) SMN1; SMN2SIGMAR1POLBKMT2AKCNH2
SCHEMBL545015 0.81 KCNH2 (0.41) KCNH2CYP2D6DRD4
SCHEMBL28184444 0.78 HRH3 (0.61) SMN1; SMN2SIGMAR1POLBKMT2ACYP2C9
SCHEMBL12665901 0.74 ALDH1A1 (0.47) POLBKCNH2CYP2D6
SCHEMBL20484955 0.74 HIF1A (0.44) SIGMAR1KMT2AKCNH2CYP2D6
SCHEMBL25699463 0.74 ALDH1A1 (0.44) SMN1; SMN2GAAKCNH2
SCHEMBL114537 0.73 CYP2A13 (0.43) SIGMAR1POLBKCNH2CYP2C9HSD17B10
SCHEMBL4151517 0.73 SMN1; SMN2 (0.72) SMN1; SMN2SIGMAR1POLBCYP2D6CYP2C19
SCHEMBL16076176 0.71 HRH3 (0.59) SMN1; SMN2SIGMAR1POLBKMT2ACYP2C9
SCHEMBL30630159 0.71 KDM4E (0.55) SIGMAR1KCNH2PRMT5WDR77CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424870-B1 Therapeutic agents 713 ASTRAZENECA AB (SE) 2015-12-16 EP disclosed
EP-2424870-B1 Therapeutic agents 713 ASTRAZENECA AB (SE) 2015-12-16 EP disclosed
US-8110566-B2 Therapeutic agents 713 ASTRAZENECA AB (SE) 2012-02-07 US disclosed
US-8110566-B2 Therapeutic agents 713 ASTRAZENECA AB (SE) 2012-02-07 US disclosed
US-8110566-B2 Therapeutic agents 713 ASTRAZENECA AB (SE) 2012-02-07 US disclosed
WO-2010125390-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 WO disclosed
US-20100280000-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 US disclosed
US-20100280000-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 US disclosed
US-20100280000-A1 THERAPEUTIC AGENTS 713 ASTRAZENECA AB (SE) 2010-11-04 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-20100280000-A1 THERAPEUTIC AGENTS 713 MC1R, MC2R, MC3R DBH 331/4885SMN1; SMN2 2550/4885GAA 150/4885

“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.