SCHEMBL728773

SCHEMBL728773

[CH2]CC(CCN(C)C)N(C)C

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL5675071 0.76
SCHEMBL23846218 0.76 HTR2A (0.34) HTR2AHRH1ALDH1A1TSHRTDP1
SCHEMBL10678873 0.76 HTR2A (0.34) HTR2AHRH1ALDH1A1TSHRTDP1
SCHEMBL16321282 0.74 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL19810525 0.74 MAPT (0.41) HTR2AHRH1ALDH1A1TSHRTDP1
SCHEMBL11690029 0.74 DNM1 (0.36) HTR2AHRH1ALDH1A1TSHRTDP1
SCHEMBL30761776 0.74 ALDH1A1 (0.43) HTR2AHRH1ALDH1A1TSHRTDP1
SCHEMBL30792552 0.74 HTR2A (0.33) HTR2AHRH1ALDH1A1TSHRTDP1
SCHEMBL11682459 0.72 HTR2A (0.32) HTR2AHRH1
SCHEMBL2454883 0.72 MAPT (0.46) HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102174161-A Polyurethane foaming catalyst and synthesis method thereof ZHANGJIAGANG CITY DAWEI ASSISTANTS INDUSTRY CO LTD 2011-09-07 CN claimed
EP-0239191-A2 Pyrazolo[4,3-b]pyridine derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-30 EP claimed
US-10023863-B2 Therapeutics with conformationally restricted monomers MARINA BIOTECH, INC. (US) 2018-07-17 US disclosed
US-9751909-B2 Synthesis and uses of nucleic acid compounds with conformationally restricted monomers MARINA BIOTECH, INC. (US) 2017-09-05 US disclosed
WO-2017115329-A1 C-3 NOVEL TRITERPENONE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2017-07-06 WO disclosed
US-20150315591-A1 NICKED OR GAPPED NUCLEIC ACID MOLECULES AND USES THEREOF MARINA BIOTECH, INC. (US) 2015-11-05 US disclosed
US-20150284717-A1 OLIGOMERS WITH CONFORMATIONALLY RESTRICTED MONOMERS AND UNLOCKED NUCLEOMONOMERS MARINA BIOTECH INC (US) 2015-10-08 US disclosed
US-20150258130-A1 NICKED OR GAPPED NUCLEIC ACID MOLECULES AND USES THEREOF MARINA BIOTECH, INC. (US) 2015-09-17 US disclosed
US-20150259686-A1 NICKED OR GAPPED NUCLEIC ACID MOLECULES AND USES THEREOF MARINA BIOTECH, INC. (US) 2015-09-17 US disclosed
US-9074205-B2 Nicked or gapped nucleic acid molecules and uses thereof MARINA BIOTECH, INC. (US) 2015-07-07 US disclosed
US-20150080564-A1 SYNTHESIS AND USES OF NUCLEIC ACID COMPOUNDS WITH CONFORMATIONALLY RESTRICTED MONOMERS MARINA BIOTECH, INC. (US) 2015-03-19 US disclosed
EP-1122245-A2 2-Amino-benzoxazinones for the treatment of viral infections G.D. Searle & Co. (US) 2001-08-08 EP disclosed
WO-2001003697-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF HERPES SIMPLEX VIRUS G.D. SEARLE & CO. (US) 2001-01-18 WO disclosed
US-5985872-A THERAPEUTIC TREATMENT OF HERPES VIRAL INFECTION G.D. SEARLE & CO. (US) 1999-11-16 US disclosed
CN-1190387-A Process for preparation of tertiary aminocarbonates and aminoethers OSI SPECIALTIES INC (US) 1998-08-12 CN disclosed
EP-0659761-B1 New 17-iminomethylalkenyl-5beta-14beta-androstane and 17-iminoalkyl-5beta-14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1998-04-22 EP disclosed
EP-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO disclosed
EP-0659761-A2 New 17-iminomethylalkenyl-5beta-14beta-androstane and 17-iminoalkyl-5beta-14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1995-06-28 EP disclosed
EP-0239191-A2 Pyrazolo[4,3-b]pyridine derivatives, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-30 EP 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-20150315591-A1 NICKED OR GAPPED NUCLEIC ACID MOLECULES AND USES THEREOF RNMT, POLRMT, SNRPE HTR2A 3795/4885HRH1 4556/4885ALDH1A1 3495/4885
US-20150080564-A1 SYNTHESIS AND USES OF NUCLEIC ACID COMPOUNDS WITH CONFORMATIONALLY RESTRICTED MONOMERS POLN, NSUN2, POLM HTR2A 3150/4885HRH1 3869/4885ALDH1A1 4544/4885
US-20150258130-A1 NICKED OR GAPPED NUCLEIC ACID MOLECULES AND USES THEREOF RNMT, POLRMT, SNRPE HTR2A 3795/4885HRH1 4556/4885ALDH1A1 3495/4885

“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.