SCHEMBL2087233

SCHEMBL2087233

N#CCC(=O)N1CCCc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
POLB P06746 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.59
PKM P14618 1/20 0.59
NOTUM Q6P988 1/20 0.59
GAA P10253 2/20 0.58
TSHR P16473 2/20 0.56
GRM7 Q14831 1/20 0.55
MAPK1 P28482 1/20 0.55

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
SCHEMBL8590940 0.91 TSHR (0.69) SMN1; SMN2POLBALDH1A1NOTUMGAA
SCHEMBL1545217 0.81 SMN1; SMN2 (0.70) SMN1; SMN2POLBALDH1A1KDM4EPKM
SCHEMBL21515338 0.81 CHRM2 (0.74) SMN1; SMN2POLBALDH1A1KDM4EPKM
SCHEMBL342522 0.80 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1KDM4EPKM
SCHEMBL30253474 0.80 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1KDM4EPKM
SCHEMBL25391399 0.80 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1KDM4EPKM
SCHEMBL14202790 0.80 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1KDM4EPKM
SCHEMBL3089154 0.80 SMN1; SMN2 (0.68) SMN1; SMN2POLBALDH1A1KDM4EPKM
SCHEMBL29520673 0.80 NOTUM (0.69) SMN1; SMN2POLBALDH1A1KDM4EPKM
SCHEMBL3660180 0.80 NOTUM (0.69) SMN1; SMN2POLBALDH1A1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897788-B2 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-03-01 US disclosed
US-20100280024-A1 RENIN INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2010-11-04 US disclosed
EP-2205559-A1 RENIN INHIBITORS Cadila Healthcare Limited (IN) 2010-07-14 EP disclosed
EP-1740171-B1 INDOL-1-YL-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-09 EP disclosed
WO-2009087649-A1 RENIN INHIBITORS CADILA HEALTHCARE LIMITED (IN) 2009-07-16 WO disclosed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 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 (2 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-20070208004-A1 Indol-1-yl-acetic acid derivatives IDO1, IDO2, AANAT SMN1; SMN2 3745/4885POLB 4043/4885ALDH1A1 67/4885
US-20100280024-A1 RENIN INHIBITORS REN, ACE, AGTR1 SMN1; SMN2 4332/4885POLB 3063/4885ALDH1A1 1351/4885

“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.