SCHEMBL1733099

SCHEMBL1733099

N=C(c1ccccc1)N1CCNCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.61
POLB P06746 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
F10 P00742 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCC1 P33527 1/20 0.40
OPRD1 P41143 1/20 0.39

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
SCHEMBL17826857 0.81 F10 (0.41) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL15149906 0.81 ADRB1 (0.48) SIGMAR1ALDH1A1ADRB1HTR3AF10
SCHEMBL906544 0.79 SIGMAR1 (0.66) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL13196460 0.79 F2 (0.47) SIGMAR1POLBHTR3EHTR3BADRB1
SCHEMBL1733229 0.79 HRH4 (0.46) SIGMAR1ALDH1A1ADRB1KMT2A
SCHEMBL12152000 0.79 HRH4 (0.46) SIGMAR1ALDH1A1ADRB1KMT2A
SCHEMBL12151974 0.79 HRH4 (0.46) SIGMAR1ALDH1A1ADRB1KMT2A
SCHEMBL13464772 0.78 SIGMAR1 (0.63) SIGMAR1POLBUSP2ALDH1A1TSHR
SCHEMBL2463342 0.78 SIGMAR1 (0.63) SIGMAR1POLBUSP2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL21379766 0.78 LMNA (0.57) USP2ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2696937-B1 THIOAMIDE, AMIDOXIME AND AMIDRAZONE DERIVATIVES AS HIV ATTACHMENT INHIBITORS VIIV HEALTHCARE UK (NO 5) LTD (GB) 2017-05-17 EP disclosed
US-20130102615-A1 THIOAMIDE, AMIDOXIME AND AMIDRAZONE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-25 US disclosed
WO-2012142080-A1 THIOAMIDE, AMIDOXIME AND AMIDRAZONE DERIVATIVES AS HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-18 WO disclosed
EP-1943221-B1 PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2011-11-23 EP disclosed
EP-1943221-B1 PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2011-11-23 EP disclosed
EP-1943221-A1 PIPERAZINE AMIDINES AS ANTIVIRAL AGENTS Brystol-Myers Squibb Company (US) 2008-07-16 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
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
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
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 (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-20130102615-A1 THIOAMIDE, AMIDOXIME AND AMIDRAZONE DERIVATIVES AS HIV ATTACHMENT INHIBITORS CD4, TAF15, ACIN1 SIGMAR1 156/4885POLB 3750/4885USP2 3937/4885
US-20070078141-A1 Piperazine amidines as antiviral agents IDO1, IDO2, EIF2AK2 SIGMAR1 262/4885POLB 1296/4885USP2 1719/4885

“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.