SCHEMBL6483706

SCHEMBL6483706

COc1cc(C#N)ccc1CNC(=O)[C@@H]1CCCN1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.59
HTR2B P41595 6/20 0.59
HTR2A P28223 4/20 0.59
KDM4E B2RXH2 1/20 0.59
GID4 Q8IVV7 1/20 0.49
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
HPGD P15428 1/20 0.46
CTSC P53634 3/20 0.45
CTSK P43235 1/20 0.42
KCNH2 Q12809 1/20 0.42
P2RX7 Q99572 1/20 0.41

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
SCHEMBL6483702 1.00 HTR2C (0.59) HTR2CHTR2BHTR2AKDM4EGID4
Hydrochloric Acid SCHEMBL8377589 0.99 HTR2C (0.58) HTR2CHTR2BHTR2AKDM4EGID4
Hydrochloric Acid SCHEMBL7044040 0.99 HTR2C (0.58) HTR2CHTR2BHTR2AKDM4EGID4
Hydrochloric Acid SCHEMBL7047243 0.82 P2RX7 (0.54) HTR2CHTR2BHTR2AKDM4EGID4
SCHEMBL8809659 0.82 KDM4E (0.59) HTR2CHTR2BHTR2AKDM4EGID4
SCHEMBL7048567 0.81 JAK2 (0.46) HTR2CHTR2BHTR2AKDM4EJAK2
Trifluoroacetic Acid SCHEMBL18670029 0.79 KDM4E (0.55) HTR2CHTR2BHTR2AKDM4EGID4
Trifluoroacetic Acid SCHEMBL18670028 0.79 KDM4E (0.55) HTR2CHTR2BHTR2AKDM4EGID4
SCHEMBL5900892 0.78 HTR2C (0.67) HTR2CHTR2BHTR2AKDM4EGID4
SCHEMBL1467300 0.78 HTR2C (0.67) HTR2CHTR2BHTR2AKDM4EGID4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900319-B2 Thrombin inhibitors ABBOTT GMBH & CO. KG (DE) 2005-05-31 US disclosed
US-20020169318-A1 Novel thrombin inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2002-11-14 US disclosed
US-6444817-B1 ANTICOAGULANTS ABBOTT LABORATORIES 2002-09-03 US disclosed
US-6030972-A 2- OR 5-AMINOMETHYL,2- OR 5-CYANOPYRIMIDINES AS INTERMEDIATES OF ANTICOAGULANTS IN EXTRACORPOREAL CIRCULATION (HEART-LUNG MACHINE, HEMODIALYSIS) BASF AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5932567-A Thrombin inhibitors BASF AKTIENGESELLSCHAFT (DE) 1999-08-03 US disclosed
EP-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
EP-0809651-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1997-12-03 EP disclosed
WO-1996024609-A1 THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-15 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 (1 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-20020169318-A1 Novel thrombin inhibitors TFPI, SERPINC1, F11 HTR2C 3631/4885HTR2B 2324/4885HTR2A 3737/4885

“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.