SCHEMBL4306482

SCHEMBL4306482

CN1CCCC1CCN1C(=O)c2cccc(NC(=O)c3ccc(Cl)s3)c2C1O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.44
F10 P00742 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4304883 0.86 CHRM3 (0.42) CHRM3F10ALDH1A1HPGDSMN1; SMN2
SCHEMBL4304803 0.82 ACHE (0.49) CHRM3
SCHEMBL4314194 0.82 F10 (0.55) CHRM3F10ALDH1A1HPGDSMN1; SMN2
SCHEMBL6217139 0.80 CHRM3 (0.42) CHRM3
SCHEMBL4309214 0.78 CHRM3 (0.43) CHRM3F10ALDH1A1HPGDSMN1; SMN2
SCHEMBL3991573 0.77 F10 (0.43) F10ALDH1A1HPGDSMN1; SMN2
SCHEMBL13950125 0.77 F10 (0.39) F10ALDH1A1HPGDSMN1; SMN2
SCHEMBL13950116 0.77 F10 (0.44) F10ALDH1A1HPGDSMN1; SMN2
SCHEMBL5785459 0.75 F10 (0.43) F10ALDH1A1HPGDSMN1; SMN2
SCHEMBL13950130 0.75 F10 (0.44) F10ALDH1A1HPGDSMN1; SMN2

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
US-7482472-B2 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2009-01-27 US disclosed
US-7482472-B2 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2009-01-27 US disclosed
US-7482472-B2 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2009-01-27 US disclosed
US-20080039446-A1 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2008-02-14 US disclosed
US-20080039446-A1 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2008-02-14 US disclosed
US-20080039446-A1 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2008-02-14 US disclosed
US-7189738-B2 Substituted isoindoles and their use thereof BAYER HEALTHCARE AG (DE) 2007-03-13 US disclosed
US-7189738-B2 Substituted isoindoles and their use thereof BAYER HEALTHCARE AG (DE) 2007-03-13 US disclosed
US-7189738-B2 Substituted isoindoles and their use thereof BAYER HEALTHCARE AG (DE) 2007-03-13 US disclosed
EP-1414817-B1 substituted isoindoles and the use thereof BAYER HEALTHCARE AG (DE) 2005-04-06 EP disclosed
US-20040215019-A1 Substituted isoindoles and the e use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-10-28 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-20080039446-A1 Substituted isoindoles and their use F2, F12, TFPI2 CHRM3 2451/4885F10 19/4885ALDH1A1 346/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 CHRM3 3206/4885F10 14/4885ALDH1A1 166/4885

“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.