SCHEMBL524920

SCHEMBL524920

CC(=O)CN1CCCC1c1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.66
▸ KDM4E B2RXH2 4/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ MEN1 O00255 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ CHRNA7 P36544 3/20 0.59
▸ CHRNB2 P17787 3/20 0.59
▸ CHRNA4 P43681 3/20 0.59
▸ CHRNB4 P30926 2/20 0.59
▸ CHRNA3 P32297 2/20 0.59
▸ CHRNA2 Q15822 2/20 0.59
▸ LMNA P02545 1/20 0.59
▸ HTR3E A5X5Y0 1/20 0.59
▸ PSIP1 O75475 1/20 0.59
▸ TRPA1 O75762 1/20 0.59
▸ HTR3B O95264 1/20 0.59
▸ CHRNA1 P02708 1/20 0.59
▸ CHRNG P07510 1/20 0.59
▸ MAPT P10636 1/20 0.59

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
SCHEMBL3262479 0.88 ALDH1A1 (0.71) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL5963854 0.87 ALDH1A1 (0.58) ALDH1A1KDM4ETDP1KMT2AMEN1
Lithium Ion SCHEMBL2682486 0.85 ALDH1A1 (0.65) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL173281 0.84 ALDH1A1 (0.63) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL28497766 0.83 ALDH1A1 (0.66) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL157171 0.83 ALDH1A1 (0.66) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL29606745 0.83 ALDH1A1 (0.66) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL29683697 0.83 ALDH1A1 (0.66) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL2683364 0.83 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1KMT2AMEN1
SCHEMBL854070 0.83 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346528-B1 NICOTINE IMMUNONANOTHERAPEUTICS MASSACHUSETTS INST TECHNOLOGY (US) 2016-04-06 — — EP disclosed
US-8932595-B2 Nicotine immunonanotherapeutics MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-01-13 — — US disclosed
US-8591905-B2 Nicotine immunonanotherapeutics THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2013-11-26 — — US disclosed
US-20130142821-A1 Hapten-Carrier Conjugates and Uses Thereof CYTOS BIOTECHNOLOGY AG (CH) 2013-06-06 — — US disclosed
CN-101574518-B Hapten-carrier conjugates and uses thereof CYTOS BIOTECHNOLOGY AG 2012-08-22 — — CN disclosed
US-8187607-B2 Hapten-carrier conjugates and uses thereof CYTOS BIOTECHNOLOGY AG (CH) 2012-05-29 — — US disclosed
US-20120027808-A1 NICOTINE IMMUNONANOTHERAPEUTICS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2012-02-02 — — US disclosed
EP-2392345-A2 Hapten-carrier conjugates comprising virus like particles and uses thereof Cytos Biotechnology AG (CH) 2011-12-07 — — EP disclosed
EP-2346528-A1 NICOTINE IMMUNONANOTHERAPEUTICS Massachusetts Institute of Technology (US) 2011-07-27 — — EP disclosed
WO-2010122164-A1 VIRUS-LIKE PARTICLES OF BACTERIOPHAGE φCB5 CYTOS BIOTECHNOLOGY AG (CH) 2010-10-28 — — WO disclosed
US-20100092425-A1 Nicotine Immunonanotherapeutics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-15 — — US disclosed
CN-101574518-A Hapten-carrier conjugates and uses thereof CYTOS BIOTECHNOLOGY AG (CH) 2009-11-11 — — CN disclosed
CN-100518823-C Hapten-carrier conjugates and uses thereof CYTOS BIOTECHNOLOGY AG (CH) 2009-07-29 — — CN disclosed
US-7452541-B2 Hapten-carrier conjugates and uses thereof CYTOS BIOTECHNOLOGY AG (CH) 2008-11-18 — — US disclosed
US-20050281845-A1 Hapten-carrier conjugates and uses thereof CYTOS BIOTECHNOLOGY AG (CH) 2005-12-22 — — US disclosed
CN-1668331-A Hapten-carrier conjugates and uses thereof CYTOS BIOTECHNOLOGY AG (CH) 2005-09-14 — — CN disclosed
US-6932971-B2 Hapten-carrier conjugates and uses thereof CYTOS BIOTECHNOLOGY AG (CH) 2005-08-23 — — US disclosed
EP-1523334-A2 HAPTEN-CARRIER CONJUGATES AND USES THEREOF Cytos Biotechnology AG (CH) 2005-04-20 — — EP disclosed
US-20040059094-A1 Hapten-carrier conjugates and uses thereof CYTOS BIOTECHNOLOGY AG (CH) 2004-03-25 — — US disclosed
WO-2004009116-A2 HAPTEN-CARRIER CONJUGATES COMPRISING VIRUS LIKE PARTICLES AND USES THEREOF CYTOS BIOTECHNOLOGY AG (CH) 2004-01-29 — — 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 (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-20120027808-A1 NICOTINE IMMUNONANOTHERAPEUTICS CD47, CD4, FCGR3B ALDH1A1 2244/4885KDM4E 2804/4885TDP1 2899/4885
US-20100092425-A1 Nicotine Immunonanotherapeutics CD4, CD47, FCGR3B ALDH1A1 2128/4885KDM4E 2768/4885TDP1 2687/4885

“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.

Send feedback