SCHEMBL7604060

SCHEMBL7604060

Fc1ccnc(N2CCNCC2)n1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.64
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
ACHE P22303 3/20 0.50
HRH3 Q9Y5N1 1/20 0.47
HRH1 P35367 1/20 0.46
HTR2C P28335 1/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ROCK2 O75116 4/20 0.44
ROCK1 Q13464 1/20 0.44
PLD1 Q13393 2/20 0.43
CASP1 P29466 1/20 0.43
CASP4 P49662 1/20 0.43
CASP5 P51878 1/20 0.43
ADRB2 P07550 1/20 0.43
NCF1 P14598 1/20 0.43
HRH4 Q9H3N8 1/20 0.42

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
SCHEMBL5797268 0.82 ADRB1 (0.59) ADRB1KDM4EALDH1A1ACHEHRH3
SCHEMBL31518606 0.82 ADRB1 (0.59) ADRB1KDM4EALDH1A1ACHEHRH3
Hydrochloric Acid SCHEMBL5375047 0.81 KDM4E (0.59) ADRB1KDM4EALDH1A1ACHEHRH3
Hydrochloric Acid SCHEMBL7868157 0.81 KDM4E (0.59) ADRB1KDM4EALDH1A1ACHEHRH3
SCHEMBL11113633 0.80 ADRB1 (0.61) ADRB1KDM4EALDH1A1ACHEHRH3
SCHEMBL573580 0.79 ADRB1 (0.59) ADRB1KDM4EALDH1A1ACHEHRH3
SCHEMBL5758330 0.79 ADRB1 (0.59) ADRB1KDM4EALDH1A1ACHEHRH3
SCHEMBL4501470 0.79 ADRB1 (0.59) ADRB1KDM4EALDH1A1ACHEHRH3
SCHEMBL13361845 0.78 ADRB1 (0.59) ADRB1KDM4EALDH1A1ACHEHRH3
SCHEMBL230177 0.78 ADRB1 (1.00) ADRB1KDM4EALDH1A1ACHEHTR2C

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-9238643-B2 Amide compounds GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2016-01-19 US disclosed
US-20130245033-A1 AMIDE COMPOUNDS GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2013-09-19 US disclosed
US-6372762-B1 HETEROCYCLIC COMPOUNDS FOR NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-04-16 US disclosed
US-20020019401-A1 Substituted bicyclic derivatives for treating central nervous system disorders FLIRI ANTON FRANZ JOSEPH (US) 2002-02-14 US disclosed
EP-0953567-A2 Bicyclic substituted piperazine-, piperidine- and tetrahydropyridine derivatives, their preparation and their use as agents with central dopaminergic (dopamine D4 receptor) activity Pfizer Products Inc. (US) 1999-11-03 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 (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-20130245033-A1 AMIDE COMPOUNDS AR, AVPR2, H1-0 ADRB1 32/4885KDM4E 2212/4885ALDH1A1 654/4885
US-20020019401-A1 Substituted bicyclic derivatives for treating central nervous system disorders OPRK1, OPRD1, MC2R ADRB1 94/4885KDM4E 1783/4885ALDH1A1 396/4885

“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.