SCHEMBL13102476

SCHEMBL13102476

Cc1ccc2c(c1)CCC(N1CCCC1)C2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
HTR1D P28221 2/20 0.46
GRIN2B Q13224 2/20 0.44
SRD5A1 P18405 1/20 0.43
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
FYN P06241 1/20 0.41
FAAH O00519 1/20 0.40
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
OPRD1 P41143 1/20 0.37

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
SCHEMBL20909692 0.93 LMNA (0.52) LMNAHTR1DGRIN2BSRD5A1FAAH
SCHEMBL10176999 0.90 SRD5A1 (0.44) LMNAHTR1DGRIN2BSRD5A1KDM4E
SCHEMBL15759171 0.90 SRD5A1 (0.44) LMNAHTR1DGRIN2BSRD5A1KDM4E
SCHEMBL15759191 0.90 SRD5A1 (0.44) LMNAHTR1DGRIN2BSRD5A1KDM4E
SCHEMBL15759140 0.89 KDM4E (0.47) LMNAHTR1DGRIN2BSRD5A1KDM4E
SCHEMBL15759169 0.87 KDM4E (0.46) GRIN2BSRD5A1KDM4EALDH1A1
SCHEMBL15759219 0.87 SRD5A1 (0.44) LMNAHTR1DGRIN2BSRD5A1KDM4E
SCHEMBL20909691 0.87 LMNA (0.52) LMNAHTR1DGRIN2BSRD5A1FAAH
SCHEMBL13102446 0.86 LMNA (0.44) LMNAGRIN2BSRD5A1FAAHTSHR
SCHEMBL4148484 0.85 LMNA (0.40) LMNAHTR1DGRIN2BHTR1AHTR7

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 4 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
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 LMNA 2404/4885HTR1D 2239/4885GRIN2B 3891/4885

“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.