SCHEMBL17103183

SCHEMBL17103183

C1CCC(=C2CCNCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HTR2C P28335 1/20 0.35
CXCR4 P61073 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADCY6 O43306 1/20 0.32
ADCY3 O60266 1/20 0.32
ADCY9 O60503 1/20 0.32
ADCY5 O95622 1/20 0.32
ADCY8 P40145 1/20 0.32
ADCY7 P51828 1/20 0.32
ADCY2 Q08462 1/20 0.32
ADCY1 Q08828 1/20 0.32
ADCY4 Q8NFM4 1/20 0.32
HIF1A Q16665 1/20 0.31
MAPT P10636 1/20 0.31
PDE4A P27815 1/20 0.31
KDR P35968 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
TRIM24 O15164 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
SCHEMBL30005819 0.90 HTR2C (0.36) ALDH1A1HTR2CCXCR4SMN1; SMN2ADCY6
SCHEMBL11766777 0.86 HTR2C (0.42) ALDH1A1HTR2CCXCR4SMN1; SMN2ADCY6
SCHEMBL14465775 0.82
SCHEMBL8059506 0.81 PNMT (0.33)
SCHEMBL365601 0.78 TRIM24 (0.43) ALDH1A1MAPTHPGDHTTTRIM24
SCHEMBL1332943 0.78 TRIM24 (0.43) ALDH1A1MAPTHPGDHTTTRIM24
SCHEMBL15703279 0.78 TRIM24 (0.43) ALDH1A1MAPTHPGDHTTTRIM24
SCHEMBL11067883 0.78 TRIM24 (0.43) ALDH1A1MAPTHPGDHTTTRIM24
SCHEMBL502191 0.78 TRIM24 (0.43) ALDH1A1MAPTHPGDHTTTRIM24
SCHEMBL8653747 0.78 TRIM24 (0.43) ALDH1A1MAPTHPGDHTTTRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3438106-A1 ANTI-VIRAL COMPOUNDS AbbVie Ireland Unlimited Company (IE) 2019-02-06 EP disclosed
US-9802929-B2 Benzo five-membered nitrogen heterocyclic piperidine or piperazine derivatives and preparation methods and pharmaceutical compositions thereof SHENYANG HAIWANG BIOTECHNOLOGY CO., LTD. (CN) 2017-10-31 US disclosed
US-20160009703-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF LIAONING EMMY BIOLOGICAL PHARMACEUTICAL CO., LTD (CN) 2016-01-14 US disclosed
EP-2924032-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF Liaoning Emmy Biological Pharmaceutical Co., Ltd (CN) 2015-09-30 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-20160009703-A1 BENZO FIVE-MEMBERED NITROGEN HETEROCYCLIC PIPERIDINE OR PIPERAZINE DERIVATIVES AND PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS THEREOF CYP3A5, IL5, ABCC5 ALDH1A1 748/4885HTR2C 456/4885CXCR4 931/4885

“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.