SCHEMBL3352880

SCHEMBL3352880

N#CC1(Cc2ccc(F)nc2)CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
USP2 O75604 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPY5R Q15761 1/20 0.31

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 SCHEMBL29453667 0.82 FPR2 (0.35) KDM1AUSP2FPR2PROKR1CYP2D6
Hydrochloric Acid SCHEMBL22719306 0.82 FPR2 (0.35) KDM1AUSP2FPR2PROKR1CYP2D6
Hydrochloric Acid SCHEMBL22719302 0.81 DAO (0.36) KDM1A
Hydrochloric Acid SCHEMBL29453765 0.81 DAO (0.36) KDM1A
SCHEMBL2796832 0.80 SLC6A2 (0.39) USP2HTR2CHTR2BFPR2PROKR1
Hydrochloric Acid SCHEMBL4635148 0.79 SLC6A2 (0.38) USP2HTR2CFPR2PROKR1CYP2D6
Hydrochloric Acid SCHEMBL22719418 0.79 USP2 (0.31) USP2
Hydrochloric Acid SCHEMBL22719325 0.79 CHRNB2 (0.38) KDM1A
Hydrochloric Acid SCHEMBL29453736 0.79 USP2 (0.31) USP2
SCHEMBL3354417 0.77 ALDH1A1 (0.40) KDM1AFPR2PROKR1CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759818-B2 Deuterated compounds for electronic applications E I DU PONT DE NEMOURS AND COMPANY (US) 2014-06-24 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 WO disclosed
US-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-06-17 US disclosed
WO-2010068881-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-17 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-20100152160-A1 NOVEL BENZODIOXANE AND BENZOXAZINE DERIVATIVES USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR4, CCR5 KDM1A 1463/4885USP2 2076/4885CYP11B1 1039/4885

“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.