SCHEMBL435099

SCHEMBL435099

CC1(c2cccs2)CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.56
SLC6A2 P23975 1/20 0.55
MEN1 O00255 1/20 0.53
PRCP P42785 1/20 0.53
KMT2A Q03164 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
SLC6A4 P31645 1/20 0.53
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
HSD11B1 P28845 1/20 0.40
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CHRM3 P20309 1/20 0.37

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
SCHEMBL13382703 1.00 SLC6A3 (0.56) SLC6A3SLC6A2MEN1PRCPKMT2A
SCHEMBL22783126 1.00 SLC6A3 (0.56) SLC6A3SLC6A2MEN1PRCPKMT2A
SCHEMBL19796074 0.98 SLC6A3 (0.53) SLC6A3SLC6A2MEN1PRCPKMT2A
SCHEMBL11315800 0.89
SCHEMBL4584541 0.83 SLC6A2 (0.58) SLC6A3SLC6A2MEN1PRCPKMT2A
SCHEMBL517255 0.80 SLC6A2 (0.55) SLC6A3SLC6A2MEN1PRCPKMT2A
SCHEMBL3409128 0.76 OPRM1 (0.67) SLC6A3SLC6A2MEN1PRCPKMT2A
SCHEMBL1309718 0.75 SLC6A2 (0.55) SLC6A3SLC6A2MEN1PRCPKMT2A
SCHEMBL2685822 0.75 SLC6A2 (0.59) SLC6A3SLC6A2MEN1PRCPKMT2A
SCHEMBL1309171 0.75 SLC6A2 (0.55) SLC6A3SLC6A2MEN1PRCPKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414918-B2 Method of preparing polymer compound TOKYO OHKA KOGYO CO., LTD. (JP) 2019-09-17 US disclosed
US-10295905-B2 Resist composition, method for forming resist pattern, and polymer compound TOKYO OHKA KOGYO CO., LTD. (JP) 2019-05-21 US disclosed
US-20180022916-A1 METHOD OF PREPARING POLYMER COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2018-01-25 US disclosed
US-20180024433-A1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, AND POLYMER COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2018-01-25 US disclosed
US-20180024433-A1 RESIST COMPOSITION, METHOD FOR FORMING RESIST PATTERN, AND POLYMER COMPOUND TOKYO OHKA KOGYO CO., LTD. (JP) 2018-01-25 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
US-9206173-B2 Heterocyclic compounds for the treatment of stress-related conditions OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-08 US disclosed
EP-2435046-B1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMA CO LTD (JP) 2013-09-04 EP disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
US-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-03-15 US disclosed
WO-2010137738-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-02 WO disclosed
US-5271858-A Field dependent fluids containing electrically conductive tin oxide coated materials ENSCI INC. (US) 1993-12-21 US disclosed
US-3939084-A Functional fluid compositions containing substituted pyrimidines MONSANTO COMPANY (US) 1976-02-17 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 (1 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-20120065189-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS NR3C1, NR3C2, CRH SLC6A3 603/4885SLC6A2 281/4885MEN1 1828/4885

“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.