SCHEMBL3178935

SCHEMBL3178935

CCN1CCN(C(=O)Cn2ncc3c2-c2cc(C)ccc2OC3)CC1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.77
▸ POLB P06746 1/20 0.70
▸ MEN1 O00255 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ TP53 P04637 5/20 0.66
▸ MAPT P10636 3/20 0.66
▸ GAA P10253 1/20 0.66
▸ LMNA P02545 1/20 0.57

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
SCHEMBL3185770 0.91 POLB (0.74) TSHRPOLBMEN1KMT2ACYP1A2
SCHEMBL3191052 0.87 TSHR (1.00) TSHRPOLBMEN1KMT2ATP53
SCHEMBL3197854 0.86 POLB (0.72) TSHRPOLBMEN1KMT2ACYP1A2
SCHEMBL3186602 0.86 POLB (0.62) TSHRPOLBMEN1KMT2ACYP1A2
SCHEMBL3188322 0.85 POLB (0.66) TSHRPOLBMEN1KMT2ACYP1A2
SCHEMBL3189064 0.84 POLB (0.65) TSHRPOLBMEN1KMT2ACYP1A2
SCHEMBL3180252 0.84 POLB (0.65) TSHRPOLBMEN1KMT2ACYP1A2
SCHEMBL3187362 0.83 POLB (0.64) TSHRPOLBMEN1KMT2ACYP1A2
SCHEMBL3191123 0.83 POLB (0.80) TSHRPOLBMEN1KMT2ACYP1A2
SCHEMBL5353148 0.83 MEN1 (0.61) TSHRPOLBMEN1KMT2ACYP1A2

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 1277/4885POLB 4479/4885MEN1 4362/4885

“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