SCHEMBL2454081

SCHEMBL2454081

[CH2]C(C)Cc1ccc(C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
ESR1 P03372 2/20 0.43
ESR2 Q92731 1/20 0.43
ACACB O00763 1/20 0.41
PYCR1 P32322 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
AKR1C3 P42330 2/20 0.39
CXCR1 P25024 2/20 0.39
CXCR2 P25025 2/20 0.39
ALB P02768 1/20 0.39
ALOX5 P09917 1/20 0.39
RARB P10826 1/20 0.39
ADRB3 P13945 1/20 0.39
NFKB1 P19838 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL3037011 0.81 SLC6A2 (0.61) IDO1ACACBSLC6A2SLC6A3LMNA
SCHEMBL2579982 0.80 PTGS1 (0.57) IDO1ESR1PTGS1PTGS2LMNA
SCHEMBL10918313 0.78 IDO1 (0.44) IDO1ACACBSLC6A2SLC6A3
SCHEMBL19546067 0.76 IDO1 (0.48) IDO1ESR1ESR2ACACBPYCR1
SCHEMBL15820761 0.76 SLC6A2 (0.68) SLC6A2SLC6A3
SCHEMBL24848154 0.76 IDO1 (0.48) IDO1ESR1ESR2ACACBPYCR1
Hydrogen Peroxide SCHEMBL11174890 0.76 PTGS1 (0.64) ESR1PTGS1PTGS2LMNACYP2C9
SCHEMBL3371824 0.76 ESR1 (0.48) IDO1ESR1ESR2ACACBPYCR1
SCHEMBL18459578 0.76 SLC6A2 (0.68) SLC6A2SLC6A3
Hydrogen Peroxide SCHEMBL9581059 0.76 PTGS1 (0.64) ESR1PTGS1PTGS2LMNACYP2C9

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
EP-2364982-A1 Spiro-piperidine compounds as chemokine receptor antagonists and medicinal use thereof ONO Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
US-20100261641-A1 SPIRO-PIPERIDINE COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 US disclosed
US-7498323-B2 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICALS CO., LTD. (JP) 2009-03-03 US disclosed
US-20070155713-A1 Nitrogen-containing heterocyclic compounds and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-07-05 US disclosed
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-12 US disclosed
EP-1621540-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1619193-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-25 EP disclosed
CN-1189830-A Substituted 1, 3-dioxan-5-ylamino-heterocyclic compounds, method for the production thereof and use thereof as pest control agents HOECHST SCHERING AGREVO GMBH (DE) 1998-08-05 CN disclosed
EP-0006992-A1 3-(p-Isopropyl-phenyl)-2-methyl-n-propyl amines, fungicides containing these compounds, a method for the preparation of said compounds and a method for combating fungi by using said compounds BASF Aktiengesellschaft (DE) 1980-01-23 EP disclosed
EP-0001809-A1 Synergetic insecticidal and acaricidal mixtures BASF Aktiengesellschaft (DE) 1979-05-16 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 (3 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-20100261641-A1 SPIRO-PIPERIDINE COMPOUNDS AND MEDICINAL USE THEREOF CCR1, CCR7, CCR3 IDO1 350/4885ESR1 1740/4885ESR2 1771/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 IDO1 350/4885ESR1 1740/4885ESR2 1771/4885
US-20070155713-A1 Nitrogen-containing heterocyclic compounds and use thereof NNMT, HLA-DRB1, NNT IDO1 18/4885ESR1 517/4885ESR2 1137/4885

“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.