SCHEMBL13103802

SCHEMBL13103802

Cc1ccc(N(C)CCN2CCOCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN11 Q06124 1/20 0.41

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
SCHEMBL2375260 0.86 SIGMAR1 (0.46) POLBEPHX2ALDH1A1
SCHEMBL11440371 0.85 HTR7 (0.53) POLBSMN1; SMN2ALDH1A1
SCHEMBL23328246 0.84 EPHX2 (0.44) POLBSMN1; SMN2EPHX2ALDH1A1
SCHEMBL24518600 0.83 SIGMAR1 (0.57) ALDH1A1
SCHEMBL6653067 0.83 CYP3A4 (0.47) SMN1; SMN2ALDH1A1
SCHEMBL21483544 0.82 HTR7 (0.60) RECQLTSHRALDH1A1
SCHEMBL10591990 0.82 CYP2A6 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL19623616 0.82 ALDH1A1 (0.42) TSHRALDH1A1
SCHEMBL3229035 0.80 ALDH1A1 (0.44) POLBSMN1; SMN2ALDH1A1
SCHEMBL2377976 0.80 MAPT (0.55) POLBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
US-8349839-B2 Inhibitors of HIV replication BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-08 US disclosed
WO-2010115264-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 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-20100261714-A1 INHIBITORS OF HIV REPLICATION RTF2, POLR1A, REV1 POLB 48/4885RECQL 22/4885SMN1; SMN2 4527/4885

“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.