SCHEMBL2711488

SCHEMBL2711488

c1ccc(-n2nnnc2N2CCNCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.73
NPSR1 Q6W5P4 4/20 0.73
GAA P10253 3/20 0.62
GFER P55789 2/20 0.62
LMNA P02545 2/20 0.62
TSHR P16473 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MAPT P10636 2/20 0.58
HTT P42858 1/20 0.58
HSD17B10 Q99714 1/20 0.58
POLB P06746 1/20 0.58
HTR3E A5X5Y0 1/20 0.55
HTR3B O95264 1/20 0.55
ADRB1 P08588 1/20 0.55
HTR3A P46098 1/20 0.55
HTR3D Q70Z44 1/20 0.55
HTR3C Q8WXA8 1/20 0.55
SIGMAR1 Q99720 1/20 0.55

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
Hydrochloric Acid SCHEMBL3570335 0.98 ALDH1A1 (0.71) ALDH1A1NPSR1GAAGFERLMNA
SCHEMBL13116822 0.94 ALDH1A1 (0.66) ALDH1A1NPSR1GAAGFERLMNA
SCHEMBL6623342 0.84 ALDH1A1 (0.53) ALDH1A1NPSR1GAAGFERLMNA
SCHEMBL14867771 0.83 ALDH1A1 (0.78) ALDH1A1NPSR1GAAGFERLMNA
SCHEMBL10267774 0.81 ALDH1A1 (0.79) ALDH1A1NPSR1GAAGFERLMNA
SCHEMBL13116650 0.80 TSHR (0.61) ALDH1A1NPSR1GAAGFERLMNA
SCHEMBL13116645 0.80 TSHR (0.61) ALDH1A1NPSR1GAAGFERLMNA
SCHEMBL3563810 0.79 PLD1 (0.62) ALDH1A1NPSR1GAAGFERLMNA
SCHEMBL9986673 0.78 ALDH1A1 (0.45) ALDH1A1NPSR1GAAGFERLMNA
SCHEMBL9988546 0.78 ALDH1A1 (0.60) ALDH1A1NPSR1GAAGFERLMNA

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
US-20130096305-A1 DEUTERATED HIV ATTACHMENT INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
CN-101432278-B Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO 2012-11-28 CN disclosed
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-20040106655-A1 Proline derivatives and the use thereof as drugs MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-06-03 US disclosed
EP-0891332-B1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER (US) 2004-03-17 EP disclosed
CN-1441779-A Proline derivatives and use thereof as drugs MITSUBISHI PHARMACEUTICAL CO L (JP) 2003-09-10 CN disclosed
EP-1308439-A1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS WELFIDE CORPORATION (JP) 2003-05-07 EP disclosed
US-6465491-B2 NITRIC OXIDE SYNTHASE INHIBITOR; NERVOUS SYSTEM DISORDERS PFIZER INC. 2002-10-15 US disclosed
US-20010034348-A1 6-phenylpyridyl-2-amine derivatives LOWE JOHN A (US) 2001-10-25 US disclosed
US-6235747-B1 NITRIC OXIDE SYNTHASE INHIBITOR PFIZER INC. 2001-05-22 US disclosed
CN-1215391-A 6-phenylpyridyl-2-amine derivatives PFIZER (US) 1999-04-28 CN disclosed
EP-0891332-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1999-01-20 EP disclosed
WO-1997036871-A1 6-PHENYLPYRIDYL-2-AMINE DERIVATIVES PFIZER INC. (US) 1997-10-09 WO 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 (3 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-20010034348-A1 6-phenylpyridyl-2-amine derivatives NOS2, NOS3, NOS1 ALDH1A1 1322/4885NPSR1 211/4885GAA 759/4885
US-20040106655-A1 Proline derivatives and the use thereof as drugs DPP4, DPP3, DPP7 ALDH1A1 118/4885NPSR1 294/4885GAA 660/4885
US-20130096305-A1 DEUTERATED HIV ATTACHMENT INHIBITORS VCAM1, CD4, ICAM1 ALDH1A1 175/4885NPSR1 907/4885GAA 2494/4885

“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.