SCHEMBL3493449

SCHEMBL3493449

Cc1nnc(CC2CN(C(=O)O)CCN2C(=O)c2cc(C)n(-c3ccccc3)c2-c2ccccc2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.35
NOTUM Q6P988 1/20 0.35
HCRTR2 O43614 8/20 0.35
HCRTR1 O43613 6/20 0.35
TSPO P30536 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR2B P41595 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA4 P22748 4/20 0.33
CA9 Q16790 4/20 0.33

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
SCHEMBL3494798 0.93 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMAPTHPGDTSHR
SCHEMBL8235967 0.90 ABHD6 (0.41) SMN1; SMN2LMNAMAPTHPGDTSHR
SCHEMBL3492063 0.84 ALDH1A1 (0.41) SMN1; SMN2LMNAMAPTHPGDTSHR
SCHEMBL8235952 0.83 TSHR (0.48) SMN1; SMN2LMNAMAPTHPGDTSHR
SCHEMBL4981189 0.83 ALDH1A1 (0.37) SMN1; SMN2LMNAMAPTNPC1RAB9A
SCHEMBL3495460 0.83 CA1 (0.40) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL3495346 0.82 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMAPTHPGDTSHR
SCHEMBL3493841 0.82 ALDH1A1 (0.39) SMN1; SMN2LMNAMAPTHPGDTSHR
SCHEMBL3494146 0.81 CNR2 (0.38) SMN1; SMN2LMNAMAPTHPGDTSHR
SCHEMBL3493192 0.81 CNR2 (0.38) SMN1; SMN2LMNAMAPTHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 SMN1; SMN2 4730/4885LMNA 201/4885MAPT 4821/4885

“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.