SCHEMBL89463

SCHEMBL89463

CC(=O)[C@H]1C[C@@H](C(=O)O)CN(C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
ACE P12821 1/20 0.34
ATM Q13315 1/20 0.34
APLNR P35414 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CYP2C19 P33261 2/20 0.31
GABRR1 P24046 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 1/20 0.30

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
SCHEMBL12440677 0.91 ALDH1A1 (0.41) ALDH1A1ACEATMAPLNRMAPT
SCHEMBL5909381 0.91 ALDH1A1 (0.41) ALDH1A1ACEATMAPLNRMAPT
SCHEMBL761653 0.81
SCHEMBL689995 0.81
Hydrochloric Acid SCHEMBL14677609 0.79
SCHEMBL23913133 0.78 ATM (0.42) ALDH1A1ATMAPLNRMAPTPOLB
SCHEMBL404506 0.78 ATM (0.42) ALDH1A1ATMAPLNRMAPTPOLB
SCHEMBL89034 0.78 BRD4 (0.44) SMN1; SMN2CYP1A2CHRNB2CHRNA3CHRNA4
SCHEMBL26181645 0.76 APLNR (0.42) ALDH1A1ACEATMAPLNRCYP2C19
SCHEMBL21908983 0.74 CHRM4 (0.37) ALDH1A1APLNRMAPTPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497286-B2 Organic compounds NOVARTIS AG (CH) 2013-07-30 US disclosed
US-8383650-B2 Organic compounds NOVARTIS AG (CH) 2013-02-26 US disclosed
US-20130005770-A1 ORGANIC COMPOUNDS NOVARTIS AG 2013-01-03 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20080319018-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-12-25 US disclosed
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 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 (4 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 ALDH1A1 38/4885ACE 2/4885ATM 4771/4885
US-20080319018-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 ALDH1A1 114/4885ACE 2/4885ATM 4718/4885
US-20130005770-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 ALDH1A1 114/4885ACE 2/4885ATM 4718/4885
US-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 ALDH1A1 231/4885ACE 2/4885ATM 4837/4885

“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.