SCHEMBL1798699

SCHEMBL1798699

CC1(C)COCCN1C(=O)CBr

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
GRM5 P41594 3/20 0.36
PRMT5 O14744 1/20 0.34
GSK3B P49841 1/20 0.33
GAA P10253 2/20 0.33
RORC P51449 1/20 0.32
GABRA5 P31644 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DDR1 Q08345 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PLAT P00750 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PIK3CD O00329 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL16889162 0.84 GRM5 (0.37) CNR2GRM5PRMT5GAARORC
SCHEMBL16963847 0.82 GRM5 (0.39) CNR2GRM5PRMT5GAARORC
SCHEMBL15134191 0.81 GRM5 (0.36) CNR2GRM5PRMT5GAAL3MBTL1
SCHEMBL16885248 0.79 ALDH1A1 (0.36) CNR2GRM5PRMT5GAAL3MBTL1
SCHEMBL18478526 0.77 SMN1; SMN2 (0.43) CNR2GRM5PRMT5GAAGABRA5
SCHEMBL15637406 0.77 GRM5 (0.38) CNR2GRM5PRMT5GAAGABRA5
SCHEMBL15133037 0.77 CNR2 (0.34) CNR2GRM5PRMT5RORCGABRA5
SCHEMBL25259083 0.76 GRM5 (0.40) CNR2GRM5PRMT5GSK3BGAA
Hydrochloric Acid SCHEMBL4247953 0.76 GRM5 (0.37) CNR2GRM5PRMT5GAAGABRA5
SCHEMBL25724348 0.74 PRMT5 (0.35) CNR2GRM5PRMT5RORCL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951801-B2 For therapy of inflammatory disease and cancer MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
EP-2206713-A1 Beta-carbolines useful for treating inflammatory disease Millennium Pharmaceuticals, Inc. (US) 2010-07-14 EP disclosed
US-7727985-B2 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-01 US disclosed
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
EP-1735311-B1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARM INC (US) 2010-03-31 EP disclosed
EP-1735311-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
WO-2005111037-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-24 WO disclosed
US-20050239781-A1 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. 2005-10-27 US disclosed
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease MILLENNIUM PHARMACEUTICALS, INC. 2004-11-25 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 (3 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-20050239781-A1 Beta-carbolines useful for treating inflammatory disease IL1B, IL1A, ADRA2B CNR2 84/4885GRM5 2602/4885PRMT5 867/4885
US-20040235839-A1 Beta-carbolines useful for treating inflammatory disease NFKBIA, IRAK2, IRAK1 CNR2 95/4885GRM5 2327/4885PRMT5 648/4885
US-20100093713-A1 BETA-CARBOLINES USEFUL FOR TREATING INFLAMMATORY DISEASE NFKBIA, NFKB2, IKBKG CNR2 94/4885GRM5 2920/4885PRMT5 911/4885

“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.