SCHEMBL12152000

SCHEMBL12152000

C[C@@H]1CN(C(=N)c2ccccc2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.46
SIGMAR1 Q99720 1/20 0.44
REN P00797 2/20 0.40
ACHE P22303 1/20 0.38
PLD1 Q13393 2/20 0.37
PLD2 O14939 1/20 0.37
ATR Q13535 1/20 0.36
PAK4 O96013 1/20 0.35
PAK1 Q13153 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
ADRB1 P08588 1/20 0.35
KHK P50053 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL1733229 1.00 HRH4 (0.46) HRH4SIGMAR1RENACHEPLD1
SCHEMBL12151974 1.00 HRH4 (0.46) HRH4SIGMAR1RENACHEPLD1
SCHEMBL5321450 0.82 HRH4 (0.47) HRH4SIGMAR1RENACHEPLD1
SCHEMBL14122351 0.82 PARP1 (0.42) SIGMAR1RENPLD1PLD2PAK4
SCHEMBL10293578 0.81 SIGMAR1 (0.65) HRH4SIGMAR1RENACHEATR
SCHEMBL1090204 0.81 SIGMAR1 (0.65) HRH4SIGMAR1RENACHEATR
SCHEMBL1090206 0.81 SIGMAR1 (0.65) HRH4SIGMAR1RENACHEATR
Hydrochloric Acid SCHEMBL3922069 0.79 SIGMAR1 (0.63) HRH4SIGMAR1RENACHEATR
Hydrochloric Acid SCHEMBL3922073 0.79 SIGMAR1 (0.63) HRH4SIGMAR1RENACHEATR
SCHEMBL1733099 0.79 SIGMAR1 (0.61) SIGMAR1ADRB1ALDH1A1KMT2A

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
EP-1943221-B1 PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2011-11-23 EP disclosed
US-7396830-B2 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
US-7396830-B2 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 US disclosed
WO-2007041616-A1 PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-12 WO disclosed
US-20070078141-A1 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070078141-A1 Piperazine amidines as antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 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-20070078141-A1 Piperazine amidines as antiviral agents IDO1, IDO2, EIF2AK2 HRH4 2036/4885SIGMAR1 262/4885REN 2581/4885

“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.