SCHEMBL5224265

SCHEMBL5224265

NC(c1ccncc1)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.49
SLC6A2 P23975 9/20 0.46
SLC6A3 Q01959 8/20 0.46
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
PLD1 Q13393 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DPP4 P27487 1/20 0.35
CDC7 O00311 1/20 0.35

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 SCHEMBL5395260 0.98 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3MKNK1MKNK2
Hydrochloric Acid SCHEMBL6149747 0.98 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3MKNK1MKNK2
SCHEMBL3301921 0.81 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3MKNK1MKNK2
SCHEMBL6885939 0.81 SLC6A2 (0.45) SLC6A4SLC6A2SLC6A3
SCHEMBL3298145 0.81 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3
SCHEMBL5650747 0.81 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3MKNK1MKNK2
SCHEMBL2657726 0.78 ROCK2 (0.38) SLC6A4SLC6A2SLC6A3MEN1ALDH1A1
SCHEMBL3591892 0.78 RPS6KB1 (0.43) DPP4
SCHEMBL4064296 0.78 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL3587509 0.78 RPS6KB1 (0.43) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
US-7129245-B2 Anticoagulants which act selectively on factor Xa; fast acting; oral; do not interfere with lysis of blood clots ELI LILLY AND COMPANY (US) 2006-10-31 US disclosed
EP-1140881-B1 ANTITHROMBOTIC AMIDES LILLY CO ELI (US) 2006-05-17 EP disclosed
US-20050282862-A1 Aromatic amides BEIGHT DOUGLAS W 2005-12-22 US disclosed
US-20050137230-A1 Carboxamide derivatives DORSCH DIETER (DE) 2005-06-23 US disclosed
EP-1019045-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2005-06-08 EP disclosed
US-6780878-B2 ANTICOAGULANTS; CARDIOVASACULAR DISORDERS ELI LILLY AND COMPANY 2004-08-24 US disclosed
EP-1140903-B1 AROMATIC AMIDES LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6759414-B2 ANTICOAGULANTS WHICH ACT SELECTIVELY ON FACTOR XA; FAST ACTING; ORAL; DO NOT INTERFERE WITH LYSIS OF BLOOD CLOTS ELI LILLY AND COMPANY 2004-07-06 US disclosed
US-6716855-B2 INHIBITOR OF FACTOR XA; N1-(BENZOYL)-N2-(1-(4-PYRIDYL)PIPERIDIN-4-YL-METHYL)-1,2-BENZENDIAMINE HIGH BIOAVAILABILITY ELI LILLY AND COMPANY 2004-04-06 US disclosed
EP-1019045-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
WO-2000039111-A1 ANTITHROMBOTIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed
WO-2000039117-A1 HETEROROAROMATIC AMIDES AS INHIBITOR OF FACTOR Xa ELI LILLY AND COMPANY (US) 2000-07-06 WO disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000128-A9 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 1999-08-05 WO disclosed
EP-0808306-B1 NEW DERIVATIVES OF PYRIDINE OR PYRIDAZINE, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 1999-08-04 EP disclosed
WO-1999000128-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed
US-5786371-A INHIBIT AGGREGATION OF BLOOD PLATELETS BOEHRINGER MANNHEIM GMBH (DE) 1998-07-28 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-20050137230-A1 Carboxamide derivatives F11, F12, F2 SLC6A4 4593/4885SLC6A2 4660/4885SLC6A3 4720/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 SLC6A4 1976/4885SLC6A2 1624/4885SLC6A3 2880/4885

“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.