SCHEMBL2841183

SCHEMBL2841183

CN1CCC(Oc2ccc(C(F)(F)F)cc2)c2occc2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.40
HTR2C P28335 1/20 0.40
SLC6A5 Q9Y345 5/20 0.40
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCHR1 Q99705 5/20 0.36
SLC6A4 P31645 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
FPR2 P25090 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
LIPE Q05469 1/20 0.35
LIPG Q9Y5X9 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
SCHEMBL2882304 0.81 HTR2A (0.40) HTR2AHTR2CSLC6A5KDM4EALDH1A1
SCHEMBL2837126 0.79 HRH3 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2SLC6A4
SCHEMBL2838001 0.79 KDM4E (0.38) SLC6A5KDM4EALDH1A1SLC6A4FPR2
SCHEMBL2836692 0.79 ROCK2 (0.34) HTR2AHTR2CALDH1A1MCHR1HRH3
SCHEMBL3074628 0.78 SLC6A4 (0.45) HTR2AHTR2CSLC6A5KDM4EALDH1A1
SCHEMBL2836631 0.73 MAOA (0.35) HTR2AHTR2CSMN1; SMN2SLC6A4
SCHEMBL5536145 0.73 HRH3 (0.58) HTR2AHTR2CSLC6A5KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2879263 0.72 HTR2A (0.41) HTR2AHTR2CSLC6A5MCHR1LIPE
SCHEMBL2838582 0.72 MCHR1 (0.39) HTR2AHTR2CSLC6A5KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10967571 0.72 HRH3 (0.56) HTR2AHTR2CSLC6A5KDM4EALDH1A1

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 3 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 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 HTR2A 28/4885HTR2C 6/4885SLC6A5 278/4885

“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.