SCHEMBL13102446

SCHEMBL13102446

Cc1ccc2c(c1)CCC(N1CCOCC1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
GRIN2B Q13224 2/20 0.41
IRAK4 Q9NWZ3 2/20 0.41
SRD5A1 P18405 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KCNH2 Q12809 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FAAH O00519 1/20 0.38
OPRL1 P41146 3/20 0.38
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRD1 P41143 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
SCHEMBL20909692 0.89 LMNA (0.52) LMNAGRIN2BSRD5A1ALDH1A1TSHR
SCHEMBL13102476 0.86 LMNA (0.47) LMNAGRIN2BSRD5A1KDM4EALDH1A1
SCHEMBL24740620 0.84 GAA (0.43) GRIN2BIRAK4KCNH2TSHRSMN1; SMN2
SCHEMBL20909691 0.83 LMNA (0.52) LMNAGRIN2BSRD5A1ALDH1A1TSHR
SCHEMBL2085878 0.82 FAAH (0.54) GRIN2BIRAK4KCNH2TSHRFAAH
Hydrochloric Acid SCHEMBL9342934 0.81 HTR2C (0.44) LMNAGRIN2BSRD5A1SMN1; SMN2FAAH
SCHEMBL9947177 0.80 GRIN2B (0.62) LMNAGRIN2BALDH1A1TSHROPRL1
SCHEMBL10176999 0.76 SRD5A1 (0.44) LMNAGRIN2BSRD5A1KDM4EALDH1A1
SCHEMBL15759171 0.76 SRD5A1 (0.44) LMNAGRIN2BSRD5A1KDM4EALDH1A1
SCHEMBL15759191 0.76 SRD5A1 (0.44) LMNAGRIN2BSRD5A1KDM4EALDH1A1

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 2404/4885GRIN2B 3891/4885IRAK4 2365/4885

“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.