SCHEMBL5566775

SCHEMBL5566775

FC(F)(F)c1ccccc1C1CNCCN1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 11/20 0.54
▸ CHRNB2 P17787 1/20 0.44
▸ CHRNA4 P43681 1/20 0.44
▸ HTR2B P41595 9/20 0.42
▸ HTR2A P28223 7/20 0.42
▸ GAA P10253 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SLC6A2 P23975 3/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ HTR1A P08908 1/20 0.39

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 SCHEMBL16136666 0.82 HTR2C (0.37) HTR2CHTR2BHTR2ATDP1
SCHEMBL6601250 0.81 HTR2C (0.35) HTR2CHTR2BHTR2ASLC6A2SLC6A4
SCHEMBL30092890 0.79 HTR2C (0.61) HTR2CCHRNB2CHRNA4HTR2BHTR2A
SCHEMBL29589456 0.78 HTR2C (0.56) HTR2CCHRNB2CHRNA4HTR2BGAA
SCHEMBL457401 0.78 HTR2C (0.56) HTR2CCHRNB2CHRNA4HTR2BGAA
SCHEMBL29484307 0.78 HTR2C (0.56) HTR2CCHRNB2CHRNA4HTR2BGAA
SCHEMBL4522448 0.77 GID4 (0.39) HTR2CHTR2BHTR2A
SCHEMBL4533549 0.77 KDM1A (0.40) HTR2CCHRNB2CHRNA4HTR2BHTR2A
SCHEMBL30397619 0.77 KDM1A (0.40) HTR2CCHRNB2CHRNA4HTR2BHTR2A
SCHEMBL9786158 0.77 KDM1A (0.40) HTR2CCHRNB2CHRNA4HTR2BHTR2A

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-9415047-B2 Use of benzo five-membered nitrogen heterocyclic piperazine or piperidine derivatives Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2016-08-16 — — US disclosed
US-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd. (CN) 2015-10-22 — — US disclosed
EP-2924033-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES Liaoning Emmy Biological Pharmaceutical Co., Ltd (CN) 2015-09-30 — — EP disclosed
US-7250413-B2 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CUMBRE PHARMACEUTICALS INC. (US) 2007-07-31 — — US disclosed
US-20050256096-A1 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CUMBRE INC. (US) 2005-11-17 — — 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 (2 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-20050256096-A1 C-25 carbamate rifamycin derivatives with activity against drug-resistant microbes CHCHD6, NAT10, RPS25 HTR2C 4684/4885CHRNB2 4551/4885CHRNA4 4443/4885
US-20150297586-A1 USE OF BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERAZINE OR PIPERIDINE DERIVATIVES P2RX5, TBXA2R, CYP3A5 HTR2C 463/4885CHRNB2 2040/4885CHRNA4 1271/4885

“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.

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