SCHEMBL5402653

SCHEMBL5402653

CC(C)NC(C)(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
KCNN4 O15554 3/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 2/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
RECQL P46063 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CACNA1F O60840 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2B P18089 1/20 0.39
CHRM3 P20309 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL6226291 0.80 CHRM2 (0.44) TDP1ALDH1A1ALOX15CYP3A4LMNA
SCHEMBL24453542 0.79 CACNA1F (0.43) TDP1KCNN4MAPK1ALDH1A1ALOX15
SCHEMBL11127641 0.78 KCNN4 (0.42) TDP1KCNN4MAPK1ALDH1A1ALOX15
SCHEMBL10087158 0.77 SMN1; SMN2 (0.39) KCNN4MAPK1ALDH1A1LMNAALOX12
SCHEMBL16984373 0.77 CYP2C9 (0.42) ALDH1A1LMNACYP2D6MAPT
SCHEMBL16121070 0.77 LMNA (0.36) ALDH1A1CYP3A4LMNAHSD17B10CYP1A2
SCHEMBL7503978 0.77 KCNN4 (0.38) TDP1KCNN4MAPK1ALDH1A1ALOX15
SCHEMBL5049524 0.77 SLC6A4 (0.41) TDP1KCNN4MAPK1ALDH1A1ALOX15
SCHEMBL5969931 0.77 HDAC3 (0.44) KCNN4LMNATSHRSSTR4HDAC3
Hydrochloric Acid SCHEMBL6820036 0.76 HDAC3 (0.43) KCNN4LMNATSHRSSTR4HDAC3

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-20230174531-A1 SATURATED SPIROCYCLICS AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 US disclosed
US-20230159545-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-25 US disclosed
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-11384090-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-07-12 US disclosed
US-11352363-B1 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-06-07 US disclosed
US-20220162231-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-05-26 US disclosed
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed
US-7238676-B2 Purine derivatives PFIZER INC. (US) 2007-07-03 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-6921753-B2 Purine derivatives PFIZER INC (US) 2005-07-26 US disclosed
US-20040229838-A1 Purine derivatives PFIZER INC 2004-11-18 US disclosed
EP-1296996-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2004-05-26 EP disclosed
US-20020032168-A1 Purine derivatives PFIZER INC. 2002-03-14 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 (12 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-20040229838-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 TDP1 526/4885KCNN4 2079/4885MAPK1 1538/4885
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 TDP1 2632/4885KCNN4 474/4885MAPK1 709/4885
US-11384090-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, REN TDP1 3171/4885KCNN4 140/4885MAPK1 1006/4885
US-20020032168-A1 Purine derivatives ADORA2A, ADORA1, ADORA3 TDP1 526/4885KCNN4 2079/4885MAPK1 1538/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 TDP1 2408/4885KCNN4 331/4885MAPK1 767/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A TDP1 1197/4885KCNN4 3848/4885MAPK1 940/4885
US-11858945-B2 Alkyne-containing antiviral agents ACE, SARS1, ACE2 TDP1 1553/4885KCNN4 2901/4885MAPK1 1226/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP TDP1 3248/4885KCNN4 4884/4885MAPK1 3042/4885
US-20230174531-A1 SATURATED SPIROCYCLICS AS ANTIVIRAL AGENTS ACE, ACE2, PKD1 TDP1 4218/4885KCNN4 1090/4885MAPK1 781/4885
US-20220162231-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 TDP1 2632/4885KCNN4 474/4885MAPK1 709/4885
US-11352363-B1 Spiropyrrolidine derived antiviral agents ACE, ACE2, REN TDP1 3422/4885KCNN4 242/4885MAPK1 1514/4885
US-20230159545-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ACE, SARS1, ACE2 TDP1 1553/4885KCNN4 2901/4885MAPK1 1226/4885

“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.