Sugi Predict

Sugi Predict / Compounds / SCHEMBL3735480

SCHEMBL3735480

SCHEMBL3735480

Cc1cc(C)n(CC(=O)N2CCN(c3ccccc3-c3cnc(N4CCC(O)CC4)nc3)CC2)n1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR3 P49682 6/20 0.70
▸ KCNH2 Q12809 2/20 0.70
▸ ALDH1A1 P00352 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ AOC3 Q16853 2/20 0.39
▸ GRM5 P41594 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ F10 P00742 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL3729670 0.95 CXCR3 (0.68) CXCR3KCNH2ALDH1A1POLBLMNA
SCHEMBL3735474 0.93 CXCR3 (0.70) CXCR3KCNH2ALDH1A1POLBLMNA
SCHEMBL3728431 0.91 CXCR3 (0.75) CXCR3KCNH2ALDH1A1POLBLMNA
SCHEMBL113584 0.91 CXCR3 (0.67) CXCR3KCNH2ALDH1A1POLBLMNA
SCHEMBL3733677 0.91 CXCR3 (0.67) CXCR3KCNH2ALDH1A1POLBLMNA
SCHEMBL114619 0.91 CXCR3 (0.67) CXCR3KCNH2ALDH1A1POLBLMNA
SCHEMBL3741782 0.90 CXCR3 (0.74) CXCR3KCNH2ALDH1A1POLBLMNA
SCHEMBL3729567 0.90 CXCR3 (0.74) CXCR3KCNH2ALDH1A1POLBLMNA
SCHEMBL3736548 0.90 CXCR3 (0.66) CXCR3KCNH2ALDH1A1POLBLMNA
SCHEMBL3728576 0.90 CXCR3 (0.66) CXCR3KCNH2ALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 — — US claimed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 — — EP disclosed
EP-2424840-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 — — EP disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 — — US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 — — US disclosed
US-8450317-B2 CXCR3 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 — — US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 — — US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 — — US disclosed
US-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 — — 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-20100280028-A1 CXCR3 RECEPTOR ANTAGONISTS CXCR3, CXCR1, CXCR2 CXCR3 1/4885KCNH2 1561/4885ALDH1A1 1298/4885

“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.