SCHEMBL4202369

SCHEMBL4202369

CCCCN1CCC(N(C)C(=O)CNc2c(C)cc(C)c(N)c2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 3/20 0.40
▸ UBE2M P61081 8/20 0.39
▸ DCUN1D1 Q96GG9 8/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CCR5 P51681 4/20 0.37
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ HTR1D P28221 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ HTR2B P41595 1/20 0.35

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
SCHEMBL4199649 0.86 CCR5 (0.34) HTR4CCR5
SCHEMBL4211913 0.82 KCNH2 (0.50) POLBCCR5HTR2CHTR2B
SCHEMBL4212647 0.81 CCR5 (0.39) CCR5
SCHEMBL4219947 0.81 CHRM1 (0.38) SMN1; SMN2
SCHEMBL4212648 0.80 CCR5 (0.44) CCR5
SCHEMBL4204487 0.79 MCHR1 (0.54) —
SCHEMBL4218448 0.79 MCHR1 (0.44) UBE2MDCUN1D1TSHRHTR2CHTR2B
SCHEMBL4218442 0.79 MCHR1 (0.44) UBE2MDCUN1D1TSHRHTR2CHTR2B
SCHEMBL5216889 0.78 NPY5R (0.44) CCR5
SCHEMBL4217152 0.78 ACHE (0.41) SMN1; SMN2CCR5

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 10 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
EP-1045693-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-10-25 — — EP disclosed
WO-2000023076-A1 AMINOPHENOXYACETIC ACID DERIVATIVES AS NEUROPROTECTANTS SUNTORY LIMITED (JP) 2000-04-27 — — WO 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 HTR4 1969/4885UBE2M 2983/4885DCUN1D1 2800/4885
US-20040063748-A1 Aminophenoxyacetic acid derivatives and pharmaceutical composition containing thereof FABP7, SLC1A2, CAMK2A HTR4 1976/4885UBE2M 3807/4885DCUN1D1 1960/4885

“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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