SCHEMBL3072449

SCHEMBL3072449

C=CCOC1CN(C(=O)O)CCC1c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
LTA4H P09960 4/20 0.35
MGLL Q99685 1/20 0.35
BTK Q06187 1/20 0.34
TACR3 P29371 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL3418650 0.89 KDM1A (0.44) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL6042110 0.79 REN (0.49)
SCHEMBL3081977 0.78 PPARG (0.39) ALDH1A1POLBRAB9ANPC1SMN1; SMN2
SCHEMBL2852728 0.77 DRD4 (0.39) ALDH1A1
SCHEMBL2852733 0.77 DRD4 (0.39) ALDH1A1
SCHEMBL3072160 0.77 YAP1 (0.49)
SCHEMBL3079026 0.75 REN (0.48)
SCHEMBL6043843 0.75 SLC6A2 (0.39) POLBSMN1; SMN2
SCHEMBL6043974 0.74 SMN1; SMN2 (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL6043979 0.74 SMN1; SMN2 (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 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-20070010511-A1 Organic compounds REN, ACE, ACE2 ALDH1A1 142/4885POLB 1031/4885RAB9A 1066/4885

“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.