SCHEMBL6563481

SCHEMBL6563481

CC(C)Cc1cccnc1CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
NMT1 P30419 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 3/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.35
GRM4 Q14833 1/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34

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
SCHEMBL21573869 0.88 GABRA1 (0.44) GABRA1GABRB2PDE3BPDE3ATRPM8
SCHEMBL18566486 0.88 PDE3B (0.41) GABRA1GABRB2PDE3BPDE3ATRPM8
SCHEMBL2084784 0.86 L3MBTL1 (0.50) GABRA1GABRB2PDE3BPDE3ATRPM8
SCHEMBL19125435 0.86 GABRA1 (0.42) GABRA1GABRB2PDE3BPDE3ATRPM8
SCHEMBL2894516 0.86 L3MBTL1 (0.46) GABRA1GABRB2PDE3BPDE3ATRPM8
SCHEMBL23863915 0.86 GABRA1 (0.42) GABRA1GABRB2PDE3BPDE3ATRPM8
Hydrochloric Acid SCHEMBL28470006 0.86 PDE3B (0.41) GABRA1GABRB2PDE3BPDE3ATRPM8
SCHEMBL12462038 0.85 GABRA1 (0.41) GABRA1GABRB2PDE3BPDE3ATRPM8
SCHEMBL12394751 0.85 GABRA1 (0.41) GABRA1GABRB2PDE3BPDE3ATRPM8
SCHEMBL27223876 0.83 GABRA1 (0.36) GABRA1GABRB2PDE3BPDE3ATRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11707503-B2 Modulators of complement activity RA PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-20180193408-A1 MODULATORS OF COMPLEMENT ACTIVITY UCB HOLDINGS, INC. 2018-07-12 US disclosed
US-9937222-B2 Modulators of complement activity RA PHARMACEUTICALS, INC. (US) 2018-04-10 US disclosed
US-20180021402-A1 MODULATORS OF COMPLEMENT ACTIVITY UCB HOLDINGS, INC. 2018-01-25 US disclosed
US-20170137468-A1 MODULATION OF COMPLEMENT ACTIVITY UCB HOLDINGS, INC. 2017-05-18 US disclosed
EP-0891970-B1 Process for producing alkenylsubstituted pyridine derivatives SUMITOMO CHEMICAL CO (JP) 2004-10-13 EP disclosed
US-6384175-B1 WATER DISPERSIBLE; REACTION PRODUCT OF POLYETHER MODIFIED BY DIACID TO CONTAIN AT LEAST ONE ACID GROUP AND A LACQUER MONOMERIC POLYISOCYANATE ADDUCT; POLYURETHANES; CROSSLINKING AGENT FOR COATING BINDERS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-07 US disclosed
US-5075396-A Coordination catalyst comprising magnesium, titanium, halogen, aluminum, an organosilicon compound and a heterocyclic diester as electron donor; durability; stereospecific MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-12-24 US disclosed
US-4841003-A CCODINATION CATALYST CONTAINING MAGNESIUM, TITANIUM, HALOGEN, LEWIS BASE AND ORGANOALUMINUM COMPOUNDS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-20 US disclosed
US-4725656-A COORDINATION CATALYST COMPRISING MAGNESIUM TITANIUM, ALUMINUM, ORGANO SILICON COMPOUNDS, AND POLYESTERS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-02-16 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 (4 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-11707503-B2 Modulators of complement activity C3AR1, C1QBP, C5AR1 GABRA1 2777/4885GABRB2 2746/4885PDE3B 242/4885
US-20180021402-A1 MODULATORS OF COMPLEMENT ACTIVITY C3AR1, C1QBP, C5AR1 GABRA1 2777/4885GABRB2 2746/4885PDE3B 242/4885
US-20170137468-A1 MODULATION OF COMPLEMENT ACTIVITY C5, C3AR1, CFH GABRA1 3047/4885GABRB2 2904/4885PDE3B 500/4885
US-20180193408-A1 MODULATORS OF COMPLEMENT ACTIVITY C3AR1, C1QBP, C5AR1 GABRA1 2777/4885GABRB2 2746/4885PDE3B 242/4885

“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.