SCHEMBL2449723

SCHEMBL2449723

Cc1nn(-c2ccccc2)c(C)c1CN1CCC2(CC1)CN(CC1CCCCC1)C(=O)c1ccccc1O2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.48
P2RX7 Q99572 1/20 0.42
OPRM1 P35372 4/20 0.40
SMO Q99835 3/20 0.39
SIGMAR1 Q99720 3/20 0.38
DRD2 P14416 2/20 0.35
MOGAT2 Q3SYC2 1/20 0.35
SSTR5 P35346 2/20 0.35
OPRK1 P41145 3/20 0.35
OPRL1 P41146 3/20 0.35
OPRD1 P41143 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RECQL P46063 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL3507999 0.86 CCR5 (0.44) CCR5P2RX7OPRM1SMOSIGMAR1
SCHEMBL4127734 0.76 EPHX2 (0.42) SIGMAR1HRH3
SCHEMBL2453500 0.76 SIGMAR1 (0.53) OPRM1SIGMAR1DRD2OPRK1OPRL1
SCHEMBL2451570 0.75 SIGMAR1 (0.44) CCR5OPRM1SIGMAR1DRD2
SCHEMBL3509723 0.73 OPRD1 (0.39) OPRM1SIGMAR1DRD2OPRK1OPRL1
SCHEMBL2451492 0.72 SIGMAR1 (0.48) OPRM1SIGMAR1DRD2OPRK1OPRL1
Acetic Acid SCHEMBL2453364 0.72 CCR5 (0.61) CCR5P2RX7OPRM1SMOMOGAT2
SCHEMBL3505727 0.72 CCR5 (0.61) CCR5P2RX7OPRM1SMOMOGAT2
SCHEMBL3507123 0.70 CCR5 (0.44) CCR5SIGMAR1OPRK1OPRD1NPC1
Hydrochloric Acid SCHEMBL3505518 0.70 CCR5 (0.69) CCR5P2RX7OPRM1SMO

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 6/4885P2RX7 624/4885OPRM1 436/4885
US-20060229301-A1 Spiro-piperidine compounds and medicinal use thereof CCR1, CCR7, CCR3 CCR5 6/4885P2RX7 624/4885OPRM1 436/4885

“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.