SCHEMBL2840478

SCHEMBL2840478

Cc1cc2c(o1)CN(C)CC2Oc1ccc(Cl)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
MAPK1 P28482 1/20 0.31
POLB P06746 1/20 0.30
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR1E P28566 1/20 0.30
HTR7 P34969 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
Hydrochloric Acid SCHEMBL2838806 0.99 GHSR (0.32) GHSRTDP1LMNASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2842422 0.86 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2835875 0.83 SLC6A2 (0.38) LMNASLC6A2SLC6A4SLC6A3TSHR
Hydrochloric Acid SCHEMBL2836039 0.81 OPRK1 (0.35) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
Hydrochloric Acid SCHEMBL2835646 0.81 KDM4E (0.32) LMNASLC6A2SLC6A4SLC6A3NPC1
Hydrochloric Acid SCHEMBL2841858 0.81 SLC6A2 (0.33) GHSRTDP1LMNASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL2835228 0.80 TP53 (0.37) SLC6A2SLC6A4SLC6A3NPSR1TSHR
SCHEMBL2835198 0.79 SLC6A4 (0.37) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2836965 0.78 SLC6A2 (0.34) LMNASLC6A2SLC6A4SLC6A3DRD1
Hydrochloric Acid SCHEMBL2839559 0.78 SLC6A4 (0.36) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GHSR 1394/4885TDP1 3509/4885LMNA 4746/4885

“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.