SCHEMBL164761

SCHEMBL164761

O=C(c1nnc(-c2ccc(Cl)cc2)o1)N1CC(O)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
SMPD1 P17405 1/20 0.53
MCHR1 Q99705 13/20 0.52
KCNH2 Q12809 12/20 0.52
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
NPC1 O15118 1/20 0.43

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
SCHEMBL113638 0.86 PTPN1 (0.55) RAB9AALDH1A1SMN1; SMN2MCHR1KCNH2
SCHEMBL167013 0.84 MCHR1 (0.51) RAB9AALDH1A1SMN1; SMN2SMPD1MCHR1
SCHEMBL175935 0.84 MCHR1 (0.65) MCHR1KCNH2HRH3
SCHEMBL27851472 0.76 MAPK1 (0.69) RAB9AALDH1A1SMN1; SMN2SMPD1LMNA
SCHEMBL326809 0.75 MCHR1 (0.85) MCHR1KCNH2HRH3
SCHEMBL326606 0.75 PTPN1 (0.72) RAB9AALDH1A1SMN1; SMN2SMPD1LMNA
SCHEMBL3823166 0.73 SMPD1 (0.65) RAB9AALDH1A1SMN1; SMN2SMPD1LMNA
SCHEMBL17377393 0.73 PTPN1 (0.70) RAB9AALDH1A1SMN1; SMN2SMPD1LMNA
SCHEMBL326919 0.72 MCHR1 (0.74) MCHR1KCNH2HRH3
Lithium Ion SCHEMBL17377391 0.72 SMPD1 (0.63) RAB9AALDH1A1SMN1; SMN2SMPD1LMNA

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 11 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
EP-2424870-A1 THERAPEUTIC AGENTS 713 AstraZeneca AB (SE) 2012-03-07 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
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 RAB9A 871/4885ALDH1A1 675/4885SMN1; SMN2 2550/4885

“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.