SCHEMBL3191805

SCHEMBL3191805

CCN1CCN(CCCNC(=O)Cn2ncc3c2-c2ccccc2OC3)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.69
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ TP53 P04637 7/20 0.56
▸ THRB P10828 2/20 0.56
▸ GLA P06280 1/20 0.56
▸ MAPT P10636 6/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ POLB P06746 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ PKM P14618 1/20 0.51
▸ NPSR1 Q6W5P4 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
SCHEMBL3186400 0.94 TSHR (0.60) TSHRMEN1KMT2ATP53THRB
SCHEMBL3188506 0.92 MAPT (0.58) TSHRMEN1KMT2ATP53THRB
SCHEMBL3179798 0.91 MAPT (0.59) TSHRMEN1KMT2ATP53MAPT
SCHEMBL3201387 0.90 TP53 (0.55) TSHRMEN1KMT2ATP53MAPT
SCHEMBL3191319 0.89 TSHR (0.54) TSHRMEN1KMT2ATP53THRB
SCHEMBL5353148 0.89 MEN1 (0.61) TSHRMEN1KMT2ATP53THRB
SCHEMBL3200546 0.86 GAA (0.60) TSHRMEN1KMT2ATP53MAPT
SCHEMBL3190868 0.86 TP53 (0.69) TSHRMEN1KMT2ATP53MAPT
SCHEMBL3178144 0.86 TP53 (0.60) TSHRMEN1KMT2ATP53MAPT
SCHEMBL3191639 0.86 KMT2A (0.54) TSHRMEN1KMT2ATP53THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 — — US disclosed
US-20070254915-A1 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-11-01 — — US disclosed
WO-2007115232-A2 CXCR4 MODULATORS CHEMOCENTRYX, INC. (US) 2007-10-11 — — 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 (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-20070254915-A1 CXCR4 MODULATORS CXCL12, CXCR4, CXCR1 TSHR 1277/4885MEN1 4362/4885KMT2A 3838/4885

“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.

Send feedback