SCHEMBL3496195

SCHEMBL3496195

Cc1cc(C(=O)N2CCN(C(=O)O)C(C(C)(C)C)[C@H]2Cc2ccccc2)c(-c2cccc(O)c2)n1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.35
CNR1 P21554 2/20 0.35
ALDH1A1 P00352 2/20 0.34
NOTUM Q6P988 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
MYC P01106 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL3494290 0.95 NOTUM (0.34) CNR2CNR1ALDH1A1NOTUMSMN1; SMN2
SCHEMBL3493902 0.90 DHODH (0.36) ALDH1A1NOTUMSMN1; SMN2MAPTLMNA
SCHEMBL3494807 0.87 NOTUM (0.34) CNR2CNR1ALDH1A1NOTUMMAPT
SCHEMBL3494703 0.87 NR1H2 (0.34) CNR2CNR1ALDH1A1NOTUMSMN1; SMN2
SCHEMBL3494368 0.81 CA1 (0.41) HCRTR1HCRTR2CYP3A4
SCHEMBL3495949 0.81 NOTUM (0.35) NOTUMNR1H2NR1H3
SCHEMBL3496189 0.78 NR1H2 (0.46) MAPTNR1H2NR1H3
SCHEMBL3493038 0.76 TUBB4A (0.34) ALDH1A1NOTUMSMN1; SMN2MAPTLMNA
SCHEMBL3494880 0.76 CA1 (0.41) MYC
SCHEMBL3493364 0.75 KDM1A (0.35) CNR2CNR1SMN1; SMN2MAPTLMNA

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 CNR2 375/4885CNR1 388/4885ALDH1A1 1062/4885

“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.