SCHEMBL1159970

SCHEMBL1159970

CC1(C(=O)N2CCCNCC2)CCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.46
CA2 P00918 2/20 0.46
CHKA P35790 1/20 0.46
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
CYP1A2 P05177 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL26767472 0.94 HSD11B1 (0.50) HSD11B1CA2CHKAMEN1KMT2A
Hydrochloric Acid SCHEMBL30675899 0.93 HSD11B1 (0.49) HSD11B1CA2CHKAMEN1KMT2A
SCHEMBL7797415 0.91 HSD11B1 (0.46) HSD11B1CA2CHKAMEN1KMT2A
SCHEMBL7794343 0.89 CA2 (0.48) HSD11B1CA2CHKAMEN1KMT2A
SCHEMBL14654230 0.87 HSD11B1 (0.48) HSD11B1CA2CHKACA12CA1
Hydrochloric Acid SCHEMBL21590494 0.85 HSD11B1 (0.47) HSD11B1CA2CHKACA12CA1
Trifluoroacetic Acid SCHEMBL29996975 0.83 PKM (0.42) HSD11B1CA2CHKAMEN1KMT2A
SCHEMBL2674112 0.83 CA2 (0.45) HSD11B1CA2CHKAMEN1KMT2A
SCHEMBL25157541 0.82 MEN1 (0.47) HSD11B1MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1158843 0.80 HSD11B1 (0.47) HSD11B1CA2CHKACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394789-B2 (Dihydro)pyrrolo[2,1-α]isoquinolines MSD OSS B.V. (NL) 2013-03-12 US disclosed
US-8394789-B2 (Dihydro)pyrrolo[2,1-α]isoquinolines MSD OSS B.V. (NL) 2013-03-12 US disclosed
US-8394789-B2 (Dihydro)pyrrolo[2,1-α]isoquinolines MSD OSS B.V. (NL) 2013-03-12 US disclosed
EP-2252611-B1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES ORGANON NV (NL) 2011-10-05 EP disclosed
US-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-17 US disclosed
US-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-17 US disclosed
US-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2011-02-17 US disclosed
WO-2009098283-A1 (DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES N.V. ORGANON (NL) 2009-08-13 WO 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-20110039832-A1 DIHYDRO)PYRROLO[2,1-A]ISOQUINOLINES PKD2, PKD1, CATSPER1 HSD11B1 697/4885CA2 784/4885CHKA 4673/4885

“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.