SCHEMBL1127660

SCHEMBL1127660

CC(C)CCC(C#N)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
AOC3 Q16853 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
HTR2A P28223 2/20 0.38
HRH1 P35367 2/20 0.38
CCR1 P32246 1/20 0.37
RIPK1 Q13546 1/20 0.37
PBRM1 Q86U86 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
OPRM1 P35372 2/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CHRM1 P11229 1/20 0.36
SMPD1 P17405 1/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL2778701 0.85 TSHR (0.48) TRPA1TSHRAOC3HTR2ACCR1
SCHEMBL5198423 0.82 TRPA1 (0.43) TRPA1TSHRPOLBTAAR1LMNA
SCHEMBL953748 0.82 TRPA1 (0.43) TRPA1TSHRPOLBAOC3HTR2A
SCHEMBL1445763 0.78 CCR1 (0.42) TRPA1TSHRPOLBHTR2AHRH1
SCHEMBL6938022 0.78 HRH1 (0.44) TRPA1TSHRPOLBAOC3HTR2A
SCHEMBL12949533 0.78 HRH1 (0.56) TRPA1TSHRTAAR1HTR2AHRH1
SCHEMBL8678630 0.78 TSHR (0.43) TRPA1TSHRPOLBTAAR1HTR2A
SCHEMBL22323261 0.78 TSHR (0.43) TRPA1TSHRPOLBTAAR1HTR2A
SCHEMBL7295721 0.78 TRPA1 (0.43) TRPA1TSHRPOLBTAAR1HTR2A
SCHEMBL7515845 0.78 TRPA1 (0.43) TRPA1TSHRPOLBTAAR1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102026990-A Novel inhibitors of hepatitis c virus replication INTERMUNE INC 2011-04-20 CN disclosed
EP-2283002-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 US disclosed
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF TRPA1 4665/4885TSHR 4762/4885POLB 540/4885

“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.