SCHEMBL3515843

SCHEMBL3515843

Brc1c(C2CC2)ccc2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.50
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
MMP2 P08253 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
MMP8 P22894 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50

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
SCHEMBL867710 0.82 LMNA (0.52) LMNACCR1CCR5CCR8MMP2
SCHEMBL20392763 0.75 MEN1 (0.43) LMNACCR1CCR5CCR8MMP2
SCHEMBL22288175 0.74 ALDH1A1 (0.49) LMNACCR1CCR5CCR8MMP2
SCHEMBL26920255 0.72 KMT2A (0.53) LMNASMN1; SMN2KDM4ETP53HSP90AA1
SCHEMBL19284658 0.71 SLC6A4 (0.52)
SCHEMBL196509 0.71 LMNA (0.64) LMNACCR1CCR5CCR8MMP2
SCHEMBL6142549 0.71 LMNA (0.58) LMNACCR1CCR5CCR8MMP2
SCHEMBL12533961 0.71 TSHR (0.52) LMNACCR1CCR5CCR8MMP2
SCHEMBL3977326 0.71 LMNA (0.63) LMNACCR1CCR5CCR8MMP2
SCHEMBL12533957 0.71 TSHR (0.52) LMNACCR1CCR5CCR8MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853202-B2 Modulators of CXCR7 CHEMOCENTRYX, INC. (US) 2014-10-07 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 US disclosed
US-20100311712-A1 MODULATORS OF CXCR7 CHEMOCENTRYX, INC. (US) 2010-12-09 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 (1 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-20100311712-A1 MODULATORS OF CXCR7 CXCR1, CXCR5, CCR7 LMNA 4842/4885CCR1 19/4885CCR5 9/4885

“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.