SCHEMBL13011509

SCHEMBL13011509

CN(C)CCCn1c2ccccc2c2ccc(C(=O)O)cc21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.60
▸ ALDH1A1 P00352 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ PARP1 P09874 1/20 0.57
▸ CYP2D6 P10635 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.51
▸ CSNK2A1 P68400 1/20 0.51
▸ PTGER4 P35408 1/20 0.51
▸ FABP4 P15090 2/20 0.50
▸ FABP5 Q01469 2/20 0.50
▸ CSF1R P07333 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ PSEN1 P49768 4/20 0.47
▸ PSEN2 P49810 4/20 0.47
▸ APH1B Q8WW43 4/20 0.47
▸ NCSTN Q92542 4/20 0.47
▸ APH1A Q96BI3 4/20 0.47
▸ PSENEN Q9NZ42 4/20 0.47

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
SCHEMBL27175650 0.92 CNR2 (0.70) CNR2ALDH1A1HPGDCYP2D6KDM4E
SCHEMBL13011524 0.86 CNR2 (0.57) CNR2CYP2D6PTGER4PSEN1PSEN2
SCHEMBL26966715 0.84 CYP2D6 (0.65) CNR2ALDH1A1HPGDPARP1CYP2D6
SCHEMBL13061930 0.83 CNR2 (0.54) CNR2ALDH1A1HPGDPARP1CYP2D6
SCHEMBL13635125 0.83 PARP1 (0.61) CNR2ALDH1A1HPGDPARP1KDM4E
SCHEMBL13011521 0.82 ALDH1A1 (0.62) CNR2ALDH1A1HPGDPARP1KDM4E
SCHEMBL541688 0.82 CYP2D6 (0.74) CNR2ALDH1A1CYP2D6FABP4FABP5
SCHEMBL29907915 0.82 CYP2D6 (0.74) CNR2ALDH1A1CYP2D6FABP4FABP5
SCHEMBL8803334 0.80 ALDH1A1 (0.62) CNR2ALDH1A1HPGDPARP1KDM4E
SCHEMBL27722947 0.79 ALDH1A1 (0.65) ALDH1A1HPGDPARP1KDM4EPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — US disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — US disclosed
EP-2119704-A1 ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2009-11-18 — — EP 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E CNR2 681/4885ALDH1A1 2104/4885HPGD 960/4885

“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.

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