SCHEMBL2485236

SCHEMBL2485236

Cc1nn(-c2ccccc2)c(C)c1CN1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.48
MCHR1 Q99705 5/20 0.48
SMO Q99835 4/20 0.47
OPRM1 P35372 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RECQL P46063 1/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
OPRD1 P41143 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
SCHEMBL2481010 0.92 CCR5 (0.45) CCR5MCHR1SMOOPRM1CYP1A2
SCHEMBL3505482 0.91 CCR5 (0.58) CCR5MCHR1SMOOPRM1CYP1A2
SCHEMBL2449895 0.81 SMN1; SMN2 (0.50) MCHR1OPRM1HTR1AHTR7HTR6
Hydrochloric Acid SCHEMBL2451822 0.80 MCHR1 (0.57) CCR5MCHR1OPRM1CYP3A4HTR1A
Hydrochloric Acid SCHEMBL2454371 0.79 CCR5 (0.57) CCR5MCHR1SMOOPRM1CYP2D6
SCHEMBL6012248 0.79 CCR5 (0.63) CCR5SMORECQL
SCHEMBL3505727 0.79 CCR5 (0.61) CCR5MCHR1SMOOPRM1CYP2D6
SCHEMBL6012398 0.77 CCR5 (0.72) CCR5CYP2D6CYP2C9CYP3A4
Hydrochloric Acid SCHEMBL3505518 0.77 CCR5 (0.69) CCR5SMOOPRM1CYP2D6CYP2C9
SCHEMBL3507206 0.76 MCHR1 (0.48) CCR5MCHR1HTR1AHTR7HTR6

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 5 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-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-12 US disclosed
EP-1619193-A1 SPIROPIPERIDINE COMPOUND AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-25 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 (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-20100261641-A1 SPIRO-PIPERIDINE COMPOUNDS AND MEDICINAL USE THEREOF CCR1, CCR7, CCR3 CCR5 6/4885MCHR1 1882/4885SMO 2174/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 CCR5 6/4885MCHR1 1882/4885SMO 2174/4885

“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.