SCHEMBL4424989

SCHEMBL4424989

NCC1CCCc2c[nH]cc21

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.47
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40

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
SCHEMBL4419980 0.75 ACHE (0.38)
SCHEMBL643387 0.72 HTR6 (0.56) HTR6
Hydrochloric Acid SCHEMBL27196405 0.70 HTR6 (0.55) HTR6
Oxalic Acid SCHEMBL5361082 0.68 HTR6 (0.56) HTR6
SCHEMBL3972604 0.68 HTR6 (0.56) HTR6ADRA2AADRA2BADRA2CADRA1D
SCHEMBL1698159 0.68 HTR6 (0.56) HTR6ADRA2AADRA2BADRA2CADRA1D
SCHEMBL1415344 0.68 HTR6 (0.56) HTR6ADRA2AADRA2BADRA2CADRA1D
SCHEMBL4428941 0.68 HTR6 (0.41) HTR6ADRA2AADRA2BADRA2CADRA1D
SCHEMBL23808394 0.67 HTR6 (0.55) HTR6ADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL316244 0.67 HTR6 (0.55) HTR6ADRA2AADRA2BADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-7112590-B2 Thrombin inhibitors LEK PHARMACEUTICALS D.D. (SI) 2006-09-26 US disclosed
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2005-07-28 US disclosed
EP-1287018-B1 THROMBIN INHIBITORS LEK TOVARNA FARMACEVTSKIH (SI) 2005-01-19 EP disclosed
US-20030191139-A1 Thrombin inhibitors UNIVERSITY OF LJUBLJANA (SI) 2003-10-09 US disclosed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 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-20030191139-A1 Thrombin inhibitors TFPI, F2, SERPINC1 HTR6 1305/4885ADRA2A 2630/4885ADRA2B 561/4885
US-20050165034-A1 Novel heterocyclic derivatives of tripeptides and tripeptide mimetics; (+-)-2-[3-[(benzylsulfonyl)amino]-6-methyl-2-oxo-1 (2H)-pyridinyl]-N-[(4,5,6,7-tetrahydro-2H-indazole-5-yl]acetamide; anticoagulants SERPINC1, TFPI, SERPINE1 HTR6 2711/4885ADRA2A 4468/4885ADRA2B 4224/4885

“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.