SCHEMBL3414508

SCHEMBL3414508

NCCC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 17/20 0.74
KCNH2 Q12809 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TAAR1 Q96RJ0 1/20 0.46
KCNN4 O15554 1/20 0.43

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
Water SCHEMBL11129744 0.97 KIF11 (0.71) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5087101 0.97 KIF11 (0.71) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Iodide SCHEMBL5091721 0.97 KIF11 (0.71) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Bromide SCHEMBL5088281 0.97 KIF11 (0.71) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL2679441 0.85 KIF11 (1.00) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Water SCHEMBL11129297 0.83 KIF11 (0.95) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Bromide SCHEMBL14976365 0.83 KIF11 (0.95) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL1149158 0.83 KIF11 (0.64) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL6226052 0.81 KIF11 (0.83) KIF11KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL27656873 0.81 KIF11 (0.62) KIF11KCNH2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119661841-A Prodrug molecule based on zwitterionic polyamide-amine dendrimer, nano drug-loaded micelle, and preparation method and application thereof 燕山大学 2025-03-21 CN disclosed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
EP-2265283-A1 AURISTATIN DRUG LINKER CONJUGATES Seattle Genetics, Inc. (US) 2010-12-29 EP disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US disclosed
WO-2009117531-A1 AURISTATIN DRUG LINKER CONJUGATES SEATTLE GENETICS, INC. (US) 2009-09-24 WO disclosed
US-7531573-B2 potent, selective and safe inhibitors of the Ca2+-activated potassium channel CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-05-12 US disclosed
US-7531573-B2 potent, selective and safe inhibitors of the Ca2+-activated potassium channel CHILDREN'S MEDICAL CENTER CORPORATION (US) 2009-05-12 US disclosed
US-7408023-B2 Peptoids incorporating chemoselective functionalities NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-08-05 US disclosed
WO-2007113386-A1 PEPTIDE CONJUGATES KARYON-CTT LTD (FI) 2007-10-11 WO disclosed
US-20020169281-A1 Peptoids incorporating chemoselective functionalities CHIRON CORPORATION 2002-11-14 US disclosed
WO-2002081637-A2 PEPTIDES INCORPORATING CHEMOSELECTIVE FUNCTIONALITIES CHIRON CORPORATION (US) 2002-10-17 WO disclosed
US-20020107235-A1 Glucocorticoid receptor modulators LIU KEVIN K (US) 2002-08-08 US disclosed
EP-1201649-A1 Glucocorticoid receptor modulators Pfizer Products Inc. (US) 2002-05-02 EP disclosed
EP-1201660-A1 Glucocorticoid receptor modulators Pfizer Products Inc. (US) 2002-05-02 EP disclosed
US-6372779-B1 ANTHRACENE DERIVATIVES WITH CARBAMOYL GROUPS, AMIDO GROUPS, UREA GROUPS AND SULFONAMIDE GROUPS ORTHO PHARMACEUTICAL CORPORATION 2002-04-16 US disclosed
EP-1189971-A2 FUNCTIONAL POLY-ALPHA-AMINOACID DERIVATIVES USEFUL FOR THE MODIFICATION OF BIOLOGICALLY ACTIVE MATERIALS AND THEIR APPLICATION UNIVERSITEIT GENT (BE) 2002-03-27 EP disclosed
WO-2000078791-A2 FUNCTIONAL POLY-α-AMINOACID DERIVATIVES USEFUL FOR THE MODIFICATION OF BIOLOGICALLY ACTIVE MATERIALS AND THEIR APPLICATION UNIVERSITEIT GENT (BE) 2000-12-28 WO disclosed
EP-0966430-A1 ANTI-INFLAMMATORY COMPOUNDS Ortho-Mcneil Pharmaceutical Corp. (US) 1999-12-29 EP disclosed
WO-1999033786-A1 ANTI-INFLAMMATORY COMPOUNDS ORTHO-MCNEIL PHARMACEUTICAL CORPORATION (US) 1999-07-08 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 (4 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-20020169281-A1 Peptoids incorporating chemoselective functionalities VIP, PCNA, DNPEP KIF11 3599/4885KCNH2 4391/4885CYP3A4 3225/4885
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 KIF11 1930/4885KCNH2 2297/4885CYP3A4 1043/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 KIF11 1930/4885KCNH2 2297/4885CYP3A4 1043/4885
US-20020107235-A1 Glucocorticoid receptor modulators NR3C1, NR3C2, MC2R KIF11 4833/4885KCNH2 4412/4885CYP3A4 270/4885

“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.