SCHEMBL4287978

SCHEMBL4287978

CCCN1CCN(c2ccc(C#N)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
HTR7 P34969 1/20 0.52
GPR39 O43194 1/20 0.51
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
PARP1 P09874 3/20 0.51
RET P07949 1/20 0.49
PANK3 Q9H999 5/20 0.49
SMO Q99835 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL19748777 0.89 DRD2 (0.50) DRD2HTR7GPR39PDE3BPDE3A
SCHEMBL2828952 0.88 SMO (0.53) HTR7GPR39PDE3BPDE3APARP1
SCHEMBL15271400 0.86 GAA (0.52) HTR7GPR39PDE3BPDE3APARP1
SCHEMBL16627261 0.85 RET (0.52) HTR7GPR39PDE3BPDE3APARP1
SCHEMBL22197947 0.84 DRD2 (0.43) DRD2HTR7PARP1RETKDM4E
SCHEMBL21521157 0.83 HTR7 (0.50) DRD2HTR7GPR39PDE3BPDE3A
SCHEMBL3592250 0.83 KDM4E (0.54) HTR7PANK3SMOKDM4EALDH1A1
SCHEMBL26291417 0.83 TIPARP (0.54) DRD2HTR7GPR39PDE3BPDE3A
SCHEMBL21521231 0.81 PANK3 (0.51) HTR7GPR39PDE3BPDE3APARP1
SCHEMBL21521672 0.81 PANK3 (0.48) HTR7PARP1RETPANK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622056-B2 High dielectric anisotropy liquid crystal compound and composition containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-11-24 US disclosed
US-7622056-B2 High dielectric anisotropy liquid crystal compound and composition containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-11-24 US disclosed
US-7622056-B2 High dielectric anisotropy liquid crystal compound and composition containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-11-24 US disclosed
US-20080135803-A1 High dielectric anisotropy liquid crystal compound and composition containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE DAILY POLYMER CORPORATION 2008-06-12 US disclosed
US-20080135803-A1 High dielectric anisotropy liquid crystal compound and composition containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE DAILY POLYMER CORPORATION 2008-06-12 US disclosed
US-20080135803-A1 High dielectric anisotropy liquid crystal compound and composition containing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE DAILY POLYMER CORPORATION 2008-06-12 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 (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-20080135803-A1 High dielectric anisotropy liquid crystal compound and composition containing the same KIF23, PIEZO1, KIFC1 DRD2 1075/4885HTR7 2300/4885GPR39 3971/4885

“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.