SCHEMBL13247682

SCHEMBL13247682

NC1CCN(C2CCN(CC3CC3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
ACHE P22303 1/20 0.38
POLB P06746 1/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
OPRM1 P35372 4/20 0.34
OPRL1 P41146 4/20 0.34
OPRK1 P41145 3/20 0.34
OPRD1 P41143 1/20 0.34
PARP2 Q9UGN5 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
Hydrochloric Acid SCHEMBL3262907 0.98 GNAI3 (0.38) CHRM5ADRA2CACHEPOLBGNAI3
SCHEMBL2673448 0.87 CHRM5 (0.48) CHRM5ADRA2CACHEGNAI3GNAO1
SCHEMBL8100117 0.87 CHRM5 (0.48) CHRM5ADRA2CACHEGNAI3GNAO1
Hydrochloric Acid SCHEMBL3539492 0.85 CHRM5 (0.46) CHRM5ADRA2CACHEGNAI3GNAO1
Hydrochloric Acid SCHEMBL2674762 0.85 CHRM5 (0.46) CHRM5ADRA2CACHEGNAI3GNAO1
SCHEMBL372637 0.84 CHRM5 (0.39) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL842660 0.84 CHRM5 (0.39) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL372638 0.84 CHRM5 (0.39) CHRM5ADRA2CACHEOPRM1OPRL1
SCHEMBL3238744 0.84 CHRM5 (0.39) CHRM5ADRA2CACHEOPRM1OPRL1
Hydrochloric Acid SCHEMBL19002912 0.82 CHRM5 (0.38) CHRM5ADRA2CACHEGNAI3GNAO1

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-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
WO-2008152013-A1 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 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 (2 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-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 CHRM5 396/4885ADRA2C 249/4885ACHE 720/4885
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 CHRM5 396/4885ADRA2C 249/4885ACHE 720/4885

“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.