SCHEMBL4218442

SCHEMBL4218442

Cc1cc(C)c(NCC(=O)N(C)C2CCN(C/C=C/c3ccccc3)CC2)c(C)c1N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 6/20 0.44
▸ DRD2 P14416 2/20 0.42
▸ HTR2A P28223 2/20 0.42
▸ HTR2C P28335 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ ANXA2 P07355 3/20 0.41
▸ S100A10 P60903 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ UBE2M P61081 1/20 0.40
▸ DCUN1D1 Q96GG9 1/20 0.40

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
SCHEMBL4218448 1.00 MCHR1 (0.44) MCHR1DRD2HTR2AHTR2CHTR2B
SCHEMBL4211913 0.84 KCNH2 (0.50) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL4212647 0.83 CCR5 (0.39) —
SCHEMBL4212648 0.82 CCR5 (0.44) ALDH1A1
SCHEMBL4217152 0.81 ACHE (0.41) ALDH1A1
SCHEMBL4199707 0.81 POLB (0.45) MCHR1DRD2HTR2AHTR2CHTR2B
SCHEMBL4199704 0.81 POLB (0.45) MCHR1DRD2HTR2AHTR2CHTR2B
SCHEMBL4199649 0.80 CCR5 (0.34) LMNAALDH1A1
SCHEMBL4202356 0.79 KMT2A (0.44) ALDH1A1MAPK1
SCHEMBL4204487 0.79 MCHR1 (0.54) MCHR1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 — — US disclosed
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 — — US disclosed
US-7488738-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2009-02-10 — — US disclosed
US-6998401-B2 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof SUNTORY LIMITED (JP) 2006-02-14 — — US disclosed
US-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-11-03 — — US disclosed
EP-1045693-B1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-06-30 — — EP disclosed
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof ASUBIO PHARMA CO., LTD. (JP) 2004-04-01 — — US disclosed
US-6559146-B1 Neuroprotective effects by inducing calbindin D28Kd, one of Ca2+-binding proteins SUNTORY LIMITED (JP) 2003-05-06 — — 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 (2 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-20050245574-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof CAMK2A, CAMK2B, SLC1A2 MCHR1 2598/4885DRD2 679/4885HTR2A 331/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A MCHR1 2661/4885DRD2 565/4885HTR2A 364/4885

“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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