SCHEMBL2839613

SCHEMBL2839613

CN1CCC(Oc2cccc3ccccc23)c2ccoc2C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE10A Q9Y233 1/20 0.35
HSD17B10 Q99714 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
PREP P48147 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
Hydrochloric Acid SCHEMBL2841722 0.99 KMT2A (0.38) HRH3KMT2AMEN1HTR2AHTR2C
SCHEMBL2840305 0.88 SLC6A2 (0.39) HRH3KMT2AMEN1L3MBTL1TSHR
SCHEMBL2837884 0.84 PKM (0.34) L3MBTL1NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL2839398 0.83 SLC6A2 (0.38) KMT2AMEN1HTR2CSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2840884 0.82 SCD (0.37) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2844199 0.82 SSTR1 (0.36) KMT2AMEN1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2845827 0.82 SLC6A4 (0.38) HTR2AHTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL2835759 0.82 MEN1 (0.37) HRH3KMT2AMEN1L3MBTL1RAB9A
SCHEMBL2836900 0.81 ALDH1A1 (0.34) KMT2AL3MBTL1RAB9ASLC6A2SLC6A4
SCHEMBL2841757 0.81 KMT2A (0.39) HRH3KMT2AMEN1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US claimed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US claimed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 EP claimed
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 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 (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-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 HRH3 777/4885KMT2A 1371/4885MEN1 3895/4885

“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.