SCHEMBL4067101

SCHEMBL4067101

CC(C)CN1CCC2(CC1)CCN(C(=O)CCn1ccnc1CN(C)Cc1nc3ccccc3[nH]1)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
CXCR4 P61073 1/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.37
CYP2D6 P10635 10/20 0.37
CYP3A4 P08684 7/20 0.36
ALDH1A1 P00352 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
USP2 O75604 5/20 0.36
CYP1A2 P05177 2/20 0.36
ALOX15 P16050 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
CYP2C9 P11712 2/20 0.34

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
SCHEMBL4073717 0.88 TDP1 (0.41) TDP1TSHRLMNAMAPK1ALDH1A1
SCHEMBL4077923 0.86 CXCR4 (0.39) TDP1CXCR4TSHRLMNACYP3A4
SCHEMBL4072232 0.86 CXCR4 (0.52) CXCR4TSHRCYP2D6CYP3A4ALDH1A1
SCHEMBL4073802 0.82 CXCR4 (0.51) CXCR4TSHRCYP2D6CYP3A4ALDH1A1
SCHEMBL4073706 0.78 CXCR4 (0.51) CXCR4TSHRMAPK1CYP2D6CYP3A4
SCHEMBL4068595 0.76 TDP1 (0.35) TDP1CXCR4TSHRLMNACYP3A4
SCHEMBL4077666 0.74 CXCR4 (0.39) CXCR4LMNAOPRM1OPRL1
SCHEMBL4532140 0.74 CXCR4 (0.41) CXCR4TSHRCYP2D6CYP3A4ALDH1A1
SCHEMBL4075810 0.73 CXCR4 (0.59) CXCR4TSHRMAPK1CYP2D6CYP3A4
SCHEMBL4070793 0.73 CXCR4 (0.54) CXCR4TSHRCYP2D6CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 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 (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-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF CXCR4, CXCL12, CXCR1 TDP1 3896/4885CXCR4 1/4885TSHR 1517/4885

“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.